1-(5-benzoyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl)-N-prop-2-enylpiperidine-4-carboxamide

C24H29N5O3 — CID 50831099

About 1-(5-benzoyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl)-N-prop-2-enylpiperidine-4-carboxamide

1-(5-benzoyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl)-N-prop-2-enylpiperidine-4-carboxamide (PubChem CID 50831099) has the molecular formula C24H29N5O3 and a molecular weight of 435.53 g/mol. Its IUPAC name is 1-(5-benzoyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl)-N-prop-2-enylpiperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-(5-benzoyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl)-N-prop-2-enylpiperidine-4-carboxamide
• PubChem CID: 50831099
• Molecular Formula: C24H29N5O3
• Molecular Weight: 435.53 g/mol
• Exact Mass: 435.23
• IUPAC Name: 1-(5-benzoyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl)-N-prop-2-enylpiperidine-4-carboxamide
• SMILES: C=CCNC(=O)C1CCN(C(=O)c2nn(C)c3c2CN(C(=O)c2ccccc2)CC3)CC1
• InChI: InChI=1S/C24H29N5O3/c1-3-12-25-22(30)17-9-13-28(14-10-17)24(32)21-19-16-29(15-11-20(19)27(2)26-21)23(31)18-7-5-4-6-8-18/h3-8,17H,1,9-16H2,2H3,(H,25,30)
• InChIKey: XBWKXKSBEIUMQM-UHFFFAOYSA-N
• XLogP: 1.77
• TPSA: 87.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.53
LogP ≤ 5	1.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(5-benzoyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl)-N-prop-2-enylpiperidine-4-carboxamide?

The IUPAC name of 1-(5-benzoyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl)-N-prop-2-enylpiperidine-4-carboxamide (CID 50831099) is 1-(5-benzoyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl)-N-prop-2-enylpiperidine-4-carboxamide.

What is the SMILES notation for 1-(5-benzoyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl)-N-prop-2-enylpiperidine-4-carboxamide?

The canonical SMILES for 1-(5-benzoyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl)-N-prop-2-enylpiperidine-4-carboxamide is C=CCNC(=O)C1CCN(C(=O)c2nn(C)c3c2CN(C(=O)c2ccccc2)CC3)CC1.

What is the InChIKey of 1-(5-benzoyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl)-N-prop-2-enylpiperidine-4-carboxamide?

The InChIKey is XBWKXKSBEIUMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3/c1-3-12-25-22(30)17-9-13-28(14-10-17)24(32)21-19-16-29(15-11-20(19)27(2)26-21)23(31)18-7-5-4-6-8-18/h3-8,17H,1,9-16H2,2H3,(H,25,30).

What are the key properties of 1-(5-benzoyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl)-N-prop-2-enylpiperidine-4-carboxamide?

1-(5-benzoyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl)-N-prop-2-enylpiperidine-4-carboxamide has a molecular weight of 435.53 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-benzoyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl)-N-prop-2-enylpiperidine-4-carboxamide is sourced from PubChem (CID 50831099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).