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

C31H31FN6O2 — CID 10554403

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

6-(4-fluorophenyl)-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidine-1-carbonyl]indole-1-carboxamide (PubChem CID 10554403) has the molecular formula C31H31FN6O2 and a molecular weight of 538.63 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidine-1-carbonyl]indole-1-carboxamide.

Molecular Properties

• Compound Name: 6-(4-fluorophenyl)-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidine-1-carbonyl]indole-1-carboxamide
• PubChem CID: 10554403
• Molecular Formula: C31H31FN6O2
• Molecular Weight: 538.63 g/mol
• Exact Mass: 538.25
• IUPAC Name: 6-(4-fluorophenyl)-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidine-1-carbonyl]indole-1-carboxamide
• SMILES: Cc1nc2cnccc2n1CC1CCN(C(=O)c2cn(C(=O)N(C)C)c3cc(-c4ccc(F)cc4)ccc23)CC1
• InChI: InChI=1S/C31H31FN6O2/c1-20-34-27-17-33-13-10-28(27)37(20)18-21-11-14-36(15-12-21)30(39)26-19-38(31(40)35(2)3)29-16-23(6-9-25(26)29)22-4-7-24(32)8-5-22/h4-10,13,16-17,19,21H,11-12,14-15,18H2,1-3H3
• InChIKey: NHBSJCZTAVJVLG-UHFFFAOYSA-N
• XLogP: 5.58
• TPSA: 76.26 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	538.63
LogP ≤ 5	5.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 6-(4-fluorophenyl)-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidine-1-carbonyl]indole-1-carboxamide (CID 10554403) is 6-(4-fluorophenyl)-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidine-1-carbonyl]indole-1-carboxamide.

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

The canonical SMILES for 6-(4-fluorophenyl)-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidine-1-carbonyl]indole-1-carboxamide is Cc1nc2cnccc2n1CC1CCN(C(=O)c2cn(C(=O)N(C)C)c3cc(-c4ccc(F)cc4)ccc23)CC1.

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

The InChIKey is NHBSJCZTAVJVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31FN6O2/c1-20-34-27-17-33-13-10-28(27)37(20)18-21-11-14-36(15-12-21)30(39)26-19-38(31(40)35(2)3)29-16-23(6-9-25(26)29)22-4-7-24(32)8-5-22/h4-10,13,16-17,19,21H,11-12,14-15,18H2,1-3H3.

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

6-(4-fluorophenyl)-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidine-1-carbonyl]indole-1-carboxamide has a molecular weight of 538.63 g/mol, XLogP of 5.58, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4-fluorophenyl)-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidine-1-carbonyl]indole-1-carboxamide is sourced from PubChem (CID 10554403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).