2-fluoro-4-hydroxy-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)benzamide

C14H11FN4O2 — CID 138378650

IUPAC2-fluoro-4-hydroxy-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)benzamide
SMILESO=C(NCc1[nH]nc2ncccc12)c1ccc(O)cc1F
InChIInChI=1S/C14H11FN4O2/c15-11-6-8(20)3-4-9(11)14(21)17-7-12-10-2-1-5-16-13(10)19-18-12/h1-6,20H,7H2,(H,17,21)(H,16,18,19)
InChIKeyRAYIWAHUVSDWQX-UHFFFAOYSA-N
MW286.27 g/mol
LogP1.73
Rot. Bonds3

About 2-fluoro-4-hydroxy-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)benzamide

2-fluoro-4-hydroxy-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)benzamide (PubChem CID 138378650) has the molecular formula C14H11FN4O2 and a molecular weight of 286.27 g/mol. Its IUPAC name is 2-fluoro-4-hydroxy-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-4-hydroxy-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)benzamide
PubChem CID138378650
Molecular FormulaC14H11FN4O2
Molecular Weight286.27 g/mol
Exact Mass286.09
IUPAC Name2-fluoro-4-hydroxy-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)benzamide
SMILESO=C(NCc1[nH]nc2ncccc12)c1ccc(O)cc1F
InChIInChI=1S/C14H11FN4O2/c15-11-6-8(20)3-4-9(11)14(21)17-7-12-10-2-1-5-16-13(10)19-18-12/h1-6,20H,7H2,(H,17,21)(H,16,18,19)
InChIKeyRAYIWAHUVSDWQX-UHFFFAOYSA-N
XLogP1.73
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.27
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-difluoro-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 138380246
5-(difluoromethyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide
CID 138387015
6-methyl-2-oxo-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1H-pyridine-3-carboxamide
CID 138386065
N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 138384485
2,4,5-trimethyl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)pyrazole-3-carboxamide
CID 138381067
1-(difluoromethyl)-5-methyl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)pyrrole-2-carboxamide
CID 138806208
2-(benzotriazol-2-yl)-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)acetamide
CID 138809856
2-(2,5-dioxoimidazolidin-1-yl)-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)acetamide
CID 138385422
2-fluoro-4-hydroxy-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
CID 107675567
2-morpholin-4-yl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)pyrimidine-5-carboxamide
CID 138380473
1-cyclopropyl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)pyrrole-2-carboxamide
CID 138383819
3-ethyl-5-methyl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1,2-oxazole-4-carboxamide
CID 138381918

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-hydroxy-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)benzamide?
The IUPAC name of 2-fluoro-4-hydroxy-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)benzamide (CID 138378650) is 2-fluoro-4-hydroxy-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 2-fluoro-4-hydroxy-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 2-fluoro-4-hydroxy-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)benzamide is O=C(NCc1[nH]nc2ncccc12)c1ccc(O)cc1F.
What is the InChIKey of 2-fluoro-4-hydroxy-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)benzamide?
The InChIKey is RAYIWAHUVSDWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4O2/c15-11-6-8(20)3-4-9(11)14(21)17-7-12-10-2-1-5-16-13(10)19-18-12/h1-6,20H,7H2,(H,17,21)(H,16,18,19).
What are the key properties of 2-fluoro-4-hydroxy-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)benzamide?
2-fluoro-4-hydroxy-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)benzamide has a molecular weight of 286.27 g/mol, XLogP of 1.73, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-hydroxy-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 138378650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).