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

C29H23FN6O2S — CID 10840116

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

6-(4-fluorophenyl)-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]-1,3-thiazole-2-carbonyl]indole-1-carboxamide (PubChem CID 10840116) has the molecular formula C29H23FN6O2S and a molecular weight of 538.61 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]-1,3-thiazole-2-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]-1,3-thiazole-2-carbonyl]indole-1-carboxamide
• PubChem CID: 10840116
• Molecular Formula: C29H23FN6O2S
• Molecular Weight: 538.61 g/mol
• Exact Mass: 538.16
• IUPAC Name: 6-(4-fluorophenyl)-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]-1,3-thiazole-2-carbonyl]indole-1-carboxamide
• SMILES: Cc1nc2cnccc2n1Cc1csc(C(=O)c2cn(C(=O)N(C)C)c3cc(-c4ccc(F)cc4)ccc23)n1
• InChI: InChI=1S/C29H23FN6O2S/c1-17-32-24-13-31-11-10-25(24)35(17)14-21-16-39-28(33-21)27(37)23-15-36(29(38)34(2)3)26-12-19(6-9-22(23)26)18-4-7-20(30)8-5-18/h4-13,15-16H,14H2,1-3H3
• InChIKey: QDKAFSSPFRRPSK-UHFFFAOYSA-N
• XLogP: 5.77
• TPSA: 85.91 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	538.61
LogP ≤ 5	5.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

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]-1,3-thiazole-2-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]-1,3-thiazole-2-carbonyl]indole-1-carboxamide (CID 10840116) is 6-(4-fluorophenyl)-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]-1,3-thiazole-2-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]-1,3-thiazole-2-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]-1,3-thiazole-2-carbonyl]indole-1-carboxamide is Cc1nc2cnccc2n1Cc1csc(C(=O)c2cn(C(=O)N(C)C)c3cc(-c4ccc(F)cc4)ccc23)n1.

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

The InChIKey is QDKAFSSPFRRPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23FN6O2S/c1-17-32-24-13-31-11-10-25(24)35(17)14-21-16-39-28(33-21)27(37)23-15-36(29(38)34(2)3)26-12-19(6-9-22(23)26)18-4-7-20(30)8-5-18/h4-13,15-16H,14H2,1-3H3.

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

6-(4-fluorophenyl)-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]-1,3-thiazole-2-carbonyl]indole-1-carboxamide has a molecular weight of 538.61 g/mol, XLogP of 5.77, 5 rotatable bonds, 0 hydrogen bond donors, and 8 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]-1,3-thiazole-2-carbonyl]indole-1-carboxamide is sourced from PubChem (CID 10840116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).