6-(4-(Difluoromethoxy)phenyl)-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid - CAS 1011399-33-9

Name: 6-(4-(Difluoromethoxy)phenyl)-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
Brand: BOC Sciences
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Catalog:	BB047941
Product Name:	6-(4-(Difluoromethoxy)phenyl)-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CAS:	1011399-33-9
Synonyms:	6-[4-(difluoromethoxy)phenyl]-1-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylic acid

Technical Data

Computed Properties

IUPAC Name:	6-[4-(difluoromethoxy)phenyl]-1-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridine-4-carboxylic acid
Description:	6-(4-(Difluoromethoxy)phenyl)-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid (CAS# 1011399-33-9 ) is a useful research chemical.
Molecular Weight:	413.35
Molecular Formula:	C21H14F3N3O3
Canonical SMILES:	CC1=NN(C2=C1C(=CC(=N2)C3=CC=C(C=C3)OC(F)F)C(=O)O)C4=CC=C(C=C4)F
InChI:	InChI=1S/C21H14F3N3O3/c1-11-18-16(20(28)29)10-17(12-2-8-15(9-3-12)30-21(23)24)25-19(18)27(26-11)14-6-4-13(22)5-7-14/h2-10,21H,1H3,(H,28,29)
InChI Key:	ZKSBITPJFCRULS-UHFFFAOYSA-N

Complexity:	597
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	413.0987258
Formal Charge:	0
Heavy Atom Count:	30
Hydrogen Bond Acceptor Count:	8
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	413.0987258
Rotatable Bond Count:	5
Topological Polar Surface Area:	77.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	5.1

6-(4-(Difluoromethoxy)phenyl)-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid - CAS 1011399-33-9

Technical Data

Computed Properties

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