4-imidazol-1-yl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)benzamide

C17H14N6O — CID 138385789

IUPAC4-imidazol-1-yl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)benzamide
SMILESO=C(NCc1[nH]nc2ncccc12)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C17H14N6O/c24-17(12-3-5-13(6-4-12)23-9-8-18-11-23)20-10-15-14-2-1-7-19-16(14)22-21-15/h1-9,11H,10H2,(H,20,24)(H,19,21,22)
InChIKeyBHQUYRBTJDSLOB-UHFFFAOYSA-N
MW318.34 g/mol
LogP2.07
Rot. Bonds4

About 4-imidazol-1-yl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)benzamide

4-imidazol-1-yl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)benzamide (PubChem CID 138385789) has the molecular formula C17H14N6O and a molecular weight of 318.34 g/mol. Its IUPAC name is 4-imidazol-1-yl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-imidazol-1-yl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)benzamide
PubChem CID138385789
Molecular FormulaC17H14N6O
Molecular Weight318.34 g/mol
Exact Mass318.12
IUPAC Name4-imidazol-1-yl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)benzamide
SMILESO=C(NCc1[nH]nc2ncccc12)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C17H14N6O/c24-17(12-3-5-13(6-4-12)23-9-8-18-11-23)20-10-15-14-2-1-7-19-16(14)22-21-15/h1-9,11H,10H2,(H,20,24)(H,19,21,22)
InChIKeyBHQUYRBTJDSLOB-UHFFFAOYSA-N
XLogP2.07
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-imidazol-1-ylphenyl)methyl]pyridine-3-carboxamide
CID 53159079
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
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
4-imidazol-1-yl-N-[(4-methoxyphenyl)methyl]benzamide
CID 31533303
4-imidazol-1-yl-N-propylbenzamide
CID 31533072
N-[(4-imidazol-1-ylphenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 56820271
4-(azepan-1-yl)-N-[(4-imidazol-1-ylphenyl)methyl]benzamide
CID 167851793
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-[(4-imidazol-1-ylphenyl)methyl]-2-pyridin-3-ylacetamide
CID 53159084

Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)benzamide?
The IUPAC name of 4-imidazol-1-yl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)benzamide (CID 138385789) is 4-imidazol-1-yl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 4-imidazol-1-yl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 4-imidazol-1-yl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)benzamide is O=C(NCc1[nH]nc2ncccc12)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of 4-imidazol-1-yl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)benzamide?
The InChIKey is BHQUYRBTJDSLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O/c24-17(12-3-5-13(6-4-12)23-9-8-18-11-23)20-10-15-14-2-1-7-19-16(14)22-21-15/h1-9,11H,10H2,(H,20,24)(H,19,21,22).
What are the key properties of 4-imidazol-1-yl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)benzamide?
4-imidazol-1-yl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)benzamide has a molecular weight of 318.34 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 138385789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).