2-(3-Cyclopropyl-4-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid - CAS 1006445-08-4

Name: 2-(3-Cyclopropyl-4-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB047561
Product Name:	2-(3-Cyclopropyl-4-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid
CAS:	1006445-08-4
Synonyms:	[3-cyclopropyl-4-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl]acetic acid

Technical Data

Computed Properties

IUPAC Name:	2-[3-cyclopropyl-4-(difluoromethyl)-6-(1-methylpyrazol-4-yl)pyrazolo[3,4-b]pyridin-1-yl]acetic acid
Description:	2-(3-Cyclopropyl-4-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid (CAS# 1006445-08-4 ) is a useful research chemical.
Molecular Weight:	347.32
Molecular Formula:	C16H15F2N5O2
Canonical SMILES:	CN1C=C(C=N1)C2=NC3=C(C(=C2)C(F)F)C(=NN3CC(=O)O)C4CC4
InChI:	InChI=1S/C16H15F2N5O2/c1-22-6-9(5-19-22)11-4-10(15(17)18)13-14(8-2-3-8)21-23(7-12(24)25)16(13)20-11/h4-6,8,15H,2-3,7H2,1H3,(H,24,25)
InChI Key:	VQPZYDNOIOEWPX-UHFFFAOYSA-N
Purity:	95 %

Complexity:	521
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	347.11938106
Formal Charge:	0
Heavy Atom Count:	25
Hydrogen Bond Acceptor Count:	7
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	347.11938106
Rotatable Bond Count:	5
Topological Polar Surface Area:	85.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7

2-(3-Cyclopropyl-4-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid - CAS 1006445-08-4

Technical Data

Computed Properties

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