1-(1H-imidazol-5-ylmethyl)-N-(3-methylphenyl)-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

C23H23N7O2 — CID 91864706

IUPAC1-(1H-imidazol-5-ylmethyl)-N-(3-methylphenyl)-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCc1cccc(NC(=O)c2nn(Cc3cnc[nH]3)c3c2CN(C(=O)c2ccc[nH]2)CC3)c1
InChIInChI=1S/C23H23N7O2/c1-15-4-2-5-16(10-15)27-22(31)21-18-13-29(23(32)19-6-3-8-25-19)9-7-20(18)30(28-21)12-17-11-24-14-26-17/h2-6,8,10-11,14,25H,7,9,12-13H2,1H3,(H,24,26)(H,27,31)
InChIKeyPYCSPHYSYJHUKG-UHFFFAOYSA-N
MW429.48 g/mol
LogP2.74
Rot. Bonds5

About 1-(1H-imidazol-5-ylmethyl)-N-(3-methylphenyl)-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

1-(1H-imidazol-5-ylmethyl)-N-(3-methylphenyl)-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 91864706) has the molecular formula C23H23N7O2 and a molecular weight of 429.48 g/mol. Its IUPAC name is 1-(1H-imidazol-5-ylmethyl)-N-(3-methylphenyl)-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(1H-imidazol-5-ylmethyl)-N-(3-methylphenyl)-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID91864706
Molecular FormulaC23H23N7O2
Molecular Weight429.48 g/mol
Exact Mass429.19
IUPAC Name1-(1H-imidazol-5-ylmethyl)-N-(3-methylphenyl)-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCc1cccc(NC(=O)c2nn(Cc3cnc[nH]3)c3c2CN(C(=O)c2ccc[nH]2)CC3)c1
InChIInChI=1S/C23H23N7O2/c1-15-4-2-5-16(10-15)27-22(31)21-18-13-29(23(32)19-6-3-8-25-19)9-7-20(18)30(28-21)12-17-11-24-14-26-17/h2-6,8,10-11,14,25H,7,9,12-13H2,1H3,(H,24,26)(H,27,31)
InChIKeyPYCSPHYSYJHUKG-UHFFFAOYSA-N
XLogP2.74
TPSA111.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-5-ylmethyl)-N-(3-methylphenyl)-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of 1-(1H-imidazol-5-ylmethyl)-N-(3-methylphenyl)-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 91864706) is 1-(1H-imidazol-5-ylmethyl)-N-(3-methylphenyl)-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 1-(1H-imidazol-5-ylmethyl)-N-(3-methylphenyl)-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for 1-(1H-imidazol-5-ylmethyl)-N-(3-methylphenyl)-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is Cc1cccc(NC(=O)c2nn(Cc3cnc[nH]3)c3c2CN(C(=O)c2ccc[nH]2)CC3)c1.
What is the InChIKey of 1-(1H-imidazol-5-ylmethyl)-N-(3-methylphenyl)-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is PYCSPHYSYJHUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O2/c1-15-4-2-5-16(10-15)27-22(31)21-18-13-29(23(32)19-6-3-8-25-19)9-7-20(18)30(28-21)12-17-11-24-14-26-17/h2-6,8,10-11,14,25H,7,9,12-13H2,1H3,(H,24,26)(H,27,31).
What are the key properties of 1-(1H-imidazol-5-ylmethyl)-N-(3-methylphenyl)-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
1-(1H-imidazol-5-ylmethyl)-N-(3-methylphenyl)-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 429.48 g/mol, XLogP of 2.74, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-5-ylmethyl)-N-(3-methylphenyl)-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 91864706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).