N-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(4-formyl-2-methylphenyl)-1H-indazole-4-carboxamide

C29H30N4O3 — CID 123321229

About N-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(4-formyl-2-methylphenyl)-1H-indazole-4-carboxamide

N-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(4-formyl-2-methylphenyl)-1H-indazole-4-carboxamide (PubChem CID 123321229) has the molecular formula C29H30N4O3 and a molecular weight of 482.58 g/mol. Its IUPAC name is N-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(4-formyl-2-methylphenyl)-1H-indazole-4-carboxamide.

Molecular Properties

• Compound Name: N-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(4-formyl-2-methylphenyl)-1H-indazole-4-carboxamide
• PubChem CID: 123321229
• Molecular Formula: C29H30N4O3
• Molecular Weight: 482.58 g/mol
• Exact Mass: 482.23
• IUPAC Name: N-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(4-formyl-2-methylphenyl)-1H-indazole-4-carboxamide
• SMILES: Cc1cc(C)c(CN(C(=O)c2cc(-c3ccc(C=O)cc3C)cc3[nH]ncc23)C2CCCC2)c(=O)[nH]1
• InChI: InChI=1S/C29H30N4O3/c1-17-10-19(3)31-28(35)26(17)15-33(22-6-4-5-7-22)29(36)24-12-21(13-27-25(24)14-30-32-27)23-9-8-20(16-34)11-18(23)2/h8-14,16,22H,4-7,15H2,1-3H3,(H,30,32)(H,31,35)
• InChIKey: OKRUICBYAVTFFD-UHFFFAOYSA-N
• XLogP: 5.24
• TPSA: 98.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.58
LogP ≤ 5	5.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(4-formyl-2-methylphenyl)-1H-indazole-4-carboxamide?

The IUPAC name of N-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(4-formyl-2-methylphenyl)-1H-indazole-4-carboxamide (CID 123321229) is N-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(4-formyl-2-methylphenyl)-1H-indazole-4-carboxamide.

What is the SMILES notation for N-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(4-formyl-2-methylphenyl)-1H-indazole-4-carboxamide?

The canonical SMILES for N-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(4-formyl-2-methylphenyl)-1H-indazole-4-carboxamide is Cc1cc(C)c(CN(C(=O)c2cc(-c3ccc(C=O)cc3C)cc3[nH]ncc23)C2CCCC2)c(=O)[nH]1.

What is the InChIKey of N-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(4-formyl-2-methylphenyl)-1H-indazole-4-carboxamide?

The InChIKey is OKRUICBYAVTFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O3/c1-17-10-19(3)31-28(35)26(17)15-33(22-6-4-5-7-22)29(36)24-12-21(13-27-25(24)14-30-32-27)23-9-8-20(16-34)11-18(23)2/h8-14,16,22H,4-7,15H2,1-3H3,(H,30,32)(H,31,35).

What are the key properties of N-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(4-formyl-2-methylphenyl)-1H-indazole-4-carboxamide?

N-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(4-formyl-2-methylphenyl)-1H-indazole-4-carboxamide has a molecular weight of 482.58 g/mol, XLogP of 5.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(4-formyl-2-methylphenyl)-1H-indazole-4-carboxamide is sourced from PubChem (CID 123321229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).