1-(cyclohexylmethyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)indole-4-carboxamide

C32H35N5O3 — CID 164854255

About 1-(cyclohexylmethyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)indole-4-carboxamide

1-(cyclohexylmethyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)indole-4-carboxamide (PubChem CID 164854255) has the molecular formula C32H35N5O3 and a molecular weight of 537.66 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)indole-4-carboxamide.

Molecular Properties

• Compound Name: 1-(cyclohexylmethyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)indole-4-carboxamide
• PubChem CID: 164854255
• Molecular Formula: C32H35N5O3
• Molecular Weight: 537.66 g/mol
• Exact Mass: 537.27
• IUPAC Name: 1-(cyclohexylmethyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)indole-4-carboxamide
• SMILES: Cc1cc(C)c(CNC(=O)c2cc(-c3cn(C)c(=O)c4[nH]ccc34)cc3c2ccn3CC2CCCCC2)c(=O)[nH]1
• InChI: InChI=1S/C32H35N5O3/c1-19-13-20(2)35-31(39)26(19)16-34-30(38)25-14-22(27-18-36(3)32(40)29-24(27)9-11-33-29)15-28-23(25)10-12-37(28)17-21-7-5-4-6-8-21/h9-15,18,21,33H,4-8,16-17H2,1-3H3,(H,34,38)(H,35,39)
• InChIKey: RUXOBFSFBIPJTK-UHFFFAOYSA-N
• XLogP: 5.30
• TPSA: 104.68 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	537.66
LogP ≤ 5	5.30
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)indole-4-carboxamide?

The IUPAC name of 1-(cyclohexylmethyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)indole-4-carboxamide (CID 164854255) is 1-(cyclohexylmethyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)indole-4-carboxamide.

What is the SMILES notation for 1-(cyclohexylmethyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)indole-4-carboxamide?

The canonical SMILES for 1-(cyclohexylmethyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)indole-4-carboxamide is Cc1cc(C)c(CNC(=O)c2cc(-c3cn(C)c(=O)c4[nH]ccc34)cc3c2ccn3CC2CCCCC2)c(=O)[nH]1.

What is the InChIKey of 1-(cyclohexylmethyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)indole-4-carboxamide?

The InChIKey is RUXOBFSFBIPJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N5O3/c1-19-13-20(2)35-31(39)26(19)16-34-30(38)25-14-22(27-18-36(3)32(40)29-24(27)9-11-33-29)15-28-23(25)10-12-37(28)17-21-7-5-4-6-8-21/h9-15,18,21,33H,4-8,16-17H2,1-3H3,(H,34,38)(H,35,39).

What are the key properties of 1-(cyclohexylmethyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)indole-4-carboxamide?

1-(cyclohexylmethyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)indole-4-carboxamide has a molecular weight of 537.66 g/mol, XLogP of 5.30, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(cyclohexylmethyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)indole-4-carboxamide is sourced from PubChem (CID 164854255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).