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Ethyl [3-methyl-6-phenyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl]acetate

Ethyl [3-methyl-6-phenyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl]acetate - CAS 1011357-25-7

Catalog:	BB051935
Product Name:	Ethyl [3-methyl-6-phenyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl]acetate
CAS:	1011357-25-7
Synonyms:	ethyl 2-[3-methyl-6-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridinyl]acetate

Technical Data

Computed Properties

IUPAC Name:	ethyl 2-[3-methyl-6-phenyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]acetate
Molecular Weight:	363.33
Molecular Formula:	C18H16F3N3O2
Canonical SMILES:	CCOC(=O)CN1C2=C(C(=N1)C)C(=CC(=N2)C3=CC=CC=C3)C(F)(F)F
InChI:	InChI=1S/C18H16F3N3O2/c1-3-26-15(25)10-24-17-16(11(2)23-24)13(18(19,20)21)9-14(22-17)12-7-5-4-6-8-12/h4-9H,3,10H2,1-2H3
InChI Key:	VSMXPDKHBJWGOZ-UHFFFAOYSA-N

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[1427004-19-0]
DBCO-PEG4-NHS ester
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[55441-25-3]
1-(2-Cyanophenyl)urea
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid

Fluorinated Building Blocks

[1427357-61-6]
6-Fluoro-[1,2,4]triazolo[1,5-a]pyridine
[1006473-17-1]
[(2,3-Difluorophenyl)methyl][(1,3-dimethylpyrazol-4-yl)methyl]amine
[2454490-85-6]
2-(7,8-Difluoro-1-naphthyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[452-76-6]
2,4-Difluorotoluene
[35989-28-7]
2,5-Dichloro-4-fluorobenzoic acid

Pyrazoles

[1006473-17-1]
[(2,3-Difluorophenyl)methyl][(1,3-dimethylpyrazol-4-yl)methyl]amine
[1946823-77-3]
[1,4-Dimethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[1431970-24-9]
2,2-Difluoro-N-[1-(1-methylpyrazol-4-yl)ethyl]ethanamine hydrochloride
[1184994-08-8]
2,2-Dimethyl-1-pyrazol-1-ylmethyl-propylamine hydrochloride

Pyridines

[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[1951441-75-0]
2-(6-Methoxypyridin-2-yl)ethan-1-amine hydrochloride
[104496-91-5]
2-(Pyridin-2-ylthio)acetohydrazide
[1261365-99-4]
2,5-Dichloro-6-(hydroxymethyl)pyridin-3-ol
[63585-69-3]
2-Methyl-3-nitropyridine Hydrochloride
[1198098-45-1]
3-Allyl-5-methyl-1H-pyrrolo[2,3-b]pyridine

Complexity:	497
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	363.11946125
Formal Charge:	0
Heavy Atom Count:	26
Hydrogen Bond Acceptor Count:	7
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	363.11946125
Rotatable Bond Count:	5
Topological Polar Surface Area:	57
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.2