4-(dimethylcarbamoylamino)-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-1-carboxamide

C29H29N7O3 — CID 18993137

About 4-(dimethylcarbamoylamino)-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-1-carboxamide

4-(dimethylcarbamoylamino)-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-1-carboxamide (PubChem CID 18993137) has the molecular formula C29H29N7O3 and a molecular weight of 523.60 g/mol. Its IUPAC name is 4-(dimethylcarbamoylamino)-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-1-carboxamide.

Molecular Properties

• Compound Name: 4-(dimethylcarbamoylamino)-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-1-carboxamide
• PubChem CID: 18993137
• Molecular Formula: C29H29N7O3
• Molecular Weight: 523.60 g/mol
• Exact Mass: 523.23
• IUPAC Name: 4-(dimethylcarbamoylamino)-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-1-carboxamide
• SMILES: Cc1nc2cnccc2n1Cc1ccc(C(=O)c2cn(C(=O)N(C)C)c3cccc(NC(=O)N(C)C)c23)cc1
• InChI: InChI=1S/C29H29N7O3/c1-18-31-23-15-30-14-13-24(23)35(18)16-19-9-11-20(12-10-19)27(37)21-17-36(29(39)34(4)5)25-8-6-7-22(26(21)25)32-28(38)33(2)3/h6-15,17H,16H2,1-5H3,(H,32,38)
• InChIKey: YJSQDTPQRNOCEM-UHFFFAOYSA-N
• XLogP: 4.60
• TPSA: 105.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	523.60
LogP ≤ 5	4.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylcarbamoylamino)-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-1-carboxamide?

The IUPAC name of 4-(dimethylcarbamoylamino)-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-1-carboxamide (CID 18993137) is 4-(dimethylcarbamoylamino)-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-1-carboxamide.

What is the SMILES notation for 4-(dimethylcarbamoylamino)-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-1-carboxamide?

The canonical SMILES for 4-(dimethylcarbamoylamino)-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-1-carboxamide is Cc1nc2cnccc2n1Cc1ccc(C(=O)c2cn(C(=O)N(C)C)c3cccc(NC(=O)N(C)C)c23)cc1.

What is the InChIKey of 4-(dimethylcarbamoylamino)-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-1-carboxamide?

The InChIKey is YJSQDTPQRNOCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N7O3/c1-18-31-23-15-30-14-13-24(23)35(18)16-19-9-11-20(12-10-19)27(37)21-17-36(29(39)34(4)5)25-8-6-7-22(26(21)25)32-28(38)33(2)3/h6-15,17H,16H2,1-5H3,(H,32,38).

What are the key properties of 4-(dimethylcarbamoylamino)-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-1-carboxamide?

4-(dimethylcarbamoylamino)-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-1-carboxamide has a molecular weight of 523.60 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(dimethylcarbamoylamino)-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-1-carboxamide is sourced from PubChem (CID 18993137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).