4-(imidazol-1-ylmethyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)benzamide

C18H16N6O — CID 86843520

IUPAC4-(imidazol-1-ylmethyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)benzamide
SMILESCc1[nH]nc2ncc(NC(=O)c3ccc(Cn4ccnc4)cc3)cc12
InChIInChI=1S/C18H16N6O/c1-12-16-8-15(9-20-17(16)23-22-12)21-18(25)14-4-2-13(3-5-14)10-24-7-6-19-11-24/h2-9,11H,10H2,1H3,(H,21,25)(H,20,22,23)
InChIKeyIKSYBXJEJURBKV-UHFFFAOYSA-N
MW332.37 g/mol
LogP2.76
Rot. Bonds4

About 4-(imidazol-1-ylmethyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)benzamide

4-(imidazol-1-ylmethyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)benzamide (PubChem CID 86843520) has the molecular formula C18H16N6O and a molecular weight of 332.37 g/mol. Its IUPAC name is 4-(imidazol-1-ylmethyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)benzamide.

Molecular Properties

Compound Name4-(imidazol-1-ylmethyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)benzamide
PubChem CID86843520
Molecular FormulaC18H16N6O
Molecular Weight332.37 g/mol
Exact Mass332.14
IUPAC Name4-(imidazol-1-ylmethyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)benzamide
SMILESCc1[nH]nc2ncc(NC(=O)c3ccc(Cn4ccnc4)cc3)cc12
InChIInChI=1S/C18H16N6O/c1-12-16-8-15(9-20-17(16)23-22-12)21-18(25)14-4-2-13(3-5-14)10-24-7-6-19-11-24/h2-9,11H,10H2,1H3,(H,21,25)(H,20,22,23)
InChIKeyIKSYBXJEJURBKV-UHFFFAOYSA-N
XLogP2.76
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-4-(3,3,3-trifluoropropyl)benzamide
CID 99715700
4-(imidazol-1-ylmethyl)-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 167828947
N-(3-acetylphenyl)-4-(imidazol-1-ylmethyl)benzamide
CID 43924465
3-benzamido-4-methyl-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)benzamide
CID 86843489
N-[3-(butanoylamino)phenyl]-4-(imidazol-1-ylmethyl)benzamide
CID 87041023
N-(3-chloro-4-methoxyphenyl)-4-(imidazol-1-ylmethyl)benzamide
CID 43922042
4-(imidazol-1-ylmethyl)-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide
CID 55719023
N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-(propanoylamino)benzamide
CID 86843550
N-dibenzofuran-3-yl-4-(imidazol-1-ylmethyl)benzamide
CID 94867844
4,5-dimethyl-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-1H-pyrazole-3-carboxamide
CID 90241214
3-methoxy-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-4-propan-2-yloxybenzamide
CID 86843240
N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-4-(imidazol-1-ylmethyl)benzamide
CID 100548253

Frequently Asked Questions

What is the IUPAC name of 4-(imidazol-1-ylmethyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)benzamide?
The IUPAC name of 4-(imidazol-1-ylmethyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)benzamide (CID 86843520) is 4-(imidazol-1-ylmethyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)benzamide.
What is the SMILES notation for 4-(imidazol-1-ylmethyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)benzamide?
The canonical SMILES for 4-(imidazol-1-ylmethyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)benzamide is Cc1[nH]nc2ncc(NC(=O)c3ccc(Cn4ccnc4)cc3)cc12.
What is the InChIKey of 4-(imidazol-1-ylmethyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)benzamide?
The InChIKey is IKSYBXJEJURBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O/c1-12-16-8-15(9-20-17(16)23-22-12)21-18(25)14-4-2-13(3-5-14)10-24-7-6-19-11-24/h2-9,11H,10H2,1H3,(H,21,25)(H,20,22,23).
What are the key properties of 4-(imidazol-1-ylmethyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)benzamide?
4-(imidazol-1-ylmethyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)benzamide has a molecular weight of 332.37 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(imidazol-1-ylmethyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)benzamide is sourced from PubChem (CID 86843520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).