3,5-difluoro-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)pyridine-2-carboxamide

C13H9F2N5O — CID 138380246

IUPAC3,5-difluoro-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)pyridine-2-carboxamide
SMILESO=C(NCc1[nH]nc2ncccc12)c1ncc(F)cc1F
InChIInChI=1S/C13H9F2N5O/c14-7-4-9(15)11(17-5-7)13(21)18-6-10-8-2-1-3-16-12(8)20-19-10/h1-5H,6H2,(H,18,21)(H,16,19,20)
InChIKeyKRWZHWMTMNCOPQ-UHFFFAOYSA-N
MW289.25 g/mol
LogP1.56
Rot. Bonds3

About 3,5-difluoro-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)pyridine-2-carboxamide

3,5-difluoro-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)pyridine-2-carboxamide (PubChem CID 138380246) has the molecular formula C13H9F2N5O and a molecular weight of 289.25 g/mol. Its IUPAC name is 3,5-difluoro-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3,5-difluoro-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)pyridine-2-carboxamide
PubChem CID138380246
Molecular FormulaC13H9F2N5O
Molecular Weight289.25 g/mol
Exact Mass289.08
IUPAC Name3,5-difluoro-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)pyridine-2-carboxamide
SMILESO=C(NCc1[nH]nc2ncccc12)c1ncc(F)cc1F
InChIInChI=1S/C13H9F2N5O/c14-7-4-9(15)11(17-5-7)13(21)18-6-10-8-2-1-3-16-12(8)20-19-10/h1-5H,6H2,(H,18,21)(H,16,19,20)
InChIKeyKRWZHWMTMNCOPQ-UHFFFAOYSA-N
XLogP1.56
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.25
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-4-hydroxy-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)benzamide
CID 138378650
5-(difluoromethyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide
CID 138387015
N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 138384485
1-(difluoromethyl)-5-methyl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)pyrrole-2-carboxamide
CID 138806208
2-(2,5-dioxoimidazolidin-1-yl)-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)acetamide
CID 138385422
6-methyl-2-oxo-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1H-pyridine-3-carboxamide
CID 138386065
2,4,5-trimethyl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)pyrazole-3-carboxamide
CID 138381067
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
2-(benzotriazol-2-yl)-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)acetamide
CID 138809856
4-imidazol-1-yl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)benzamide
CID 138385789
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 3,5-difluoro-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 3,5-difluoro-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)pyridine-2-carboxamide (CID 138380246) is 3,5-difluoro-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 3,5-difluoro-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 3,5-difluoro-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)pyridine-2-carboxamide is O=C(NCc1[nH]nc2ncccc12)c1ncc(F)cc1F.
What is the InChIKey of 3,5-difluoro-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)pyridine-2-carboxamide?
The InChIKey is KRWZHWMTMNCOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2N5O/c14-7-4-9(15)11(17-5-7)13(21)18-6-10-8-2-1-3-16-12(8)20-19-10/h1-5H,6H2,(H,18,21)(H,16,19,20).
What are the key properties of 3,5-difluoro-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)pyridine-2-carboxamide?
3,5-difluoro-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)pyridine-2-carboxamide has a molecular weight of 289.25 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 138380246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).