6-(4-fluorophenyl)-N,N-dimethyl-3-[2-[methyl-[3-(2-methylimidazo[4,5-c]pyridin-1-yl)propyl]amino]acetyl]indole-1-carboxamide

C30H31FN6O2 — CID 10625951

About 6-(4-fluorophenyl)-N,N-dimethyl-3-[2-[methyl-[3-(2-methylimidazo[4,5-c]pyridin-1-yl)propyl]amino]acetyl]indole-1-carboxamide

6-(4-fluorophenyl)-N,N-dimethyl-3-[2-[methyl-[3-(2-methylimidazo[4,5-c]pyridin-1-yl)propyl]amino]acetyl]indole-1-carboxamide (PubChem CID 10625951) has the molecular formula C30H31FN6O2 and a molecular weight of 526.62 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-N,N-dimethyl-3-[2-[methyl-[3-(2-methylimidazo[4,5-c]pyridin-1-yl)propyl]amino]acetyl]indole-1-carboxamide.

Molecular Properties

• Compound Name: 6-(4-fluorophenyl)-N,N-dimethyl-3-[2-[methyl-[3-(2-methylimidazo[4,5-c]pyridin-1-yl)propyl]amino]acetyl]indole-1-carboxamide
• PubChem CID: 10625951
• Molecular Formula: C30H31FN6O2
• Molecular Weight: 526.62 g/mol
• Exact Mass: 526.25
• IUPAC Name: 6-(4-fluorophenyl)-N,N-dimethyl-3-[2-[methyl-[3-(2-methylimidazo[4,5-c]pyridin-1-yl)propyl]amino]acetyl]indole-1-carboxamide
• SMILES: Cc1nc2cnccc2n1CCCN(C)CC(=O)c1cn(C(=O)N(C)C)c2cc(-c3ccc(F)cc3)ccc12
• InChI: InChI=1S/C30H31FN6O2/c1-20-33-26-17-32-13-12-27(26)36(20)15-5-14-35(4)19-29(38)25-18-37(30(39)34(2)3)28-16-22(8-11-24(25)28)21-6-9-23(31)10-7-21/h6-13,16-18H,5,14-15,19H2,1-4H3
• InChIKey: DXPVOWOBYAJNOR-UHFFFAOYSA-N
• XLogP: 5.24
• TPSA: 76.26 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	526.62
LogP ≤ 5	5.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-N,N-dimethyl-3-[2-[methyl-[3-(2-methylimidazo[4,5-c]pyridin-1-yl)propyl]amino]acetyl]indole-1-carboxamide?

The IUPAC name of 6-(4-fluorophenyl)-N,N-dimethyl-3-[2-[methyl-[3-(2-methylimidazo[4,5-c]pyridin-1-yl)propyl]amino]acetyl]indole-1-carboxamide (CID 10625951) is 6-(4-fluorophenyl)-N,N-dimethyl-3-[2-[methyl-[3-(2-methylimidazo[4,5-c]pyridin-1-yl)propyl]amino]acetyl]indole-1-carboxamide.

What is the SMILES notation for 6-(4-fluorophenyl)-N,N-dimethyl-3-[2-[methyl-[3-(2-methylimidazo[4,5-c]pyridin-1-yl)propyl]amino]acetyl]indole-1-carboxamide?

The canonical SMILES for 6-(4-fluorophenyl)-N,N-dimethyl-3-[2-[methyl-[3-(2-methylimidazo[4,5-c]pyridin-1-yl)propyl]amino]acetyl]indole-1-carboxamide is Cc1nc2cnccc2n1CCCN(C)CC(=O)c1cn(C(=O)N(C)C)c2cc(-c3ccc(F)cc3)ccc12.

What is the InChIKey of 6-(4-fluorophenyl)-N,N-dimethyl-3-[2-[methyl-[3-(2-methylimidazo[4,5-c]pyridin-1-yl)propyl]amino]acetyl]indole-1-carboxamide?

The InChIKey is DXPVOWOBYAJNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31FN6O2/c1-20-33-26-17-32-13-12-27(26)36(20)15-5-14-35(4)19-29(38)25-18-37(30(39)34(2)3)28-16-22(8-11-24(25)28)21-6-9-23(31)10-7-21/h6-13,16-18H,5,14-15,19H2,1-4H3.

What are the key properties of 6-(4-fluorophenyl)-N,N-dimethyl-3-[2-[methyl-[3-(2-methylimidazo[4,5-c]pyridin-1-yl)propyl]amino]acetyl]indole-1-carboxamide?

6-(4-fluorophenyl)-N,N-dimethyl-3-[2-[methyl-[3-(2-methylimidazo[4,5-c]pyridin-1-yl)propyl]amino]acetyl]indole-1-carboxamide has a molecular weight of 526.62 g/mol, XLogP of 5.24, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4-fluorophenyl)-N,N-dimethyl-3-[2-[methyl-[3-(2-methylimidazo[4,5-c]pyridin-1-yl)propyl]amino]acetyl]indole-1-carboxamide is sourced from PubChem (CID 10625951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).