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

C15H12N6O — CID 138384485

IUPACN-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-3H-benzimidazole-5-carboxamide
SMILESO=C(NCc1[nH]nc2ncccc12)c1ccc2nc[nH]c2c1
InChIInChI=1S/C15H12N6O/c22-15(9-3-4-11-12(6-9)19-8-18-11)17-7-13-10-2-1-5-16-14(10)21-20-13/h1-6,8H,7H2,(H,17,22)(H,18,19)(H,16,20,21)
InChIKeyVGYVRYLFWZMZEU-UHFFFAOYSA-N
MW292.30 g/mol
LogP1.76
Rot. Bonds3

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

N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-3H-benzimidazole-5-carboxamide (PubChem CID 138384485) has the molecular formula C15H12N6O and a molecular weight of 292.30 g/mol. Its IUPAC name is N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-3H-benzimidazole-5-carboxamide
PubChem CID138384485
Molecular FormulaC15H12N6O
Molecular Weight292.30 g/mol
Exact Mass292.11
IUPAC NameN-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-3H-benzimidazole-5-carboxamide
SMILESO=C(NCc1[nH]nc2ncccc12)c1ccc2nc[nH]c2c1
InChIInChI=1S/C15H12N6O/c22-15(9-3-4-11-12(6-9)19-8-18-11)17-7-13-10-2-1-5-16-14(10)21-20-13/h1-6,8H,7H2,(H,17,22)(H,18,19)(H,16,20,21)
InChIKeyVGYVRYLFWZMZEU-UHFFFAOYSA-N
XLogP1.76
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-hydroxyphenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 110473116
4-imidazol-1-yl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)benzamide
CID 138385789
N-[(3-chlorophenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 2548252
N-[(1-methylpyrazol-4-yl)methyl]-3H-benzimidazole-5-carboxamide
CID 47364492
3,5-difluoro-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 138380246
N-[(4-ethylsulfanylphenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 110794525
5-(difluoromethyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide
CID 138387015
2-fluoro-4-hydroxy-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)benzamide
CID 138378650
N-[[2-(aminomethyl)phenyl]methyl]-3H-benzimidazole-5-carboxamide
CID 62949714
N-(2-amino-2-oxoethyl)-3H-benzimidazole-5-carboxamide
CID 43400555
N-[(2-methylpyrimidin-4-yl)methyl]-3H-benzimidazole-5-carboxamide
CID 47292400
N-(2-acetamidoethyl)-3H-benzimidazole-5-carboxamide
CID 43397895

Frequently Asked Questions

What is the IUPAC name of N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-3H-benzimidazole-5-carboxamide (CID 138384485) is N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-3H-benzimidazole-5-carboxamide is O=C(NCc1[nH]nc2ncccc12)c1ccc2nc[nH]c2c1.
What is the InChIKey of N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-3H-benzimidazole-5-carboxamide?
The InChIKey is VGYVRYLFWZMZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6O/c22-15(9-3-4-11-12(6-9)19-8-18-11)17-7-13-10-2-1-5-16-14(10)21-20-13/h1-6,8H,7H2,(H,17,22)(H,18,19)(H,16,20,21).
What are the key properties of N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-3H-benzimidazole-5-carboxamide?
N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-3H-benzimidazole-5-carboxamide has a molecular weight of 292.30 g/mol, XLogP of 1.76, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 138384485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).