1-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-6-carboxamide

C28H23F3N6O — CID 165142581

About 1-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-6-carboxamide

1-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-6-carboxamide (PubChem CID 165142581) has the molecular formula C28H23F3N6O and a molecular weight of 516.53 g/mol. Its IUPAC name is 1-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-6-carboxamide.

Molecular Properties

• Compound Name: 1-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-6-carboxamide
• PubChem CID: 165142581
• Molecular Formula: C28H23F3N6O
• Molecular Weight: 516.53 g/mol
• Exact Mass: 516.19
• IUPAC Name: 1-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-6-carboxamide
• SMILES: Cc1cn(-c2cc(NC(=O)c3ccc4c(c3)N(Cc3cnc5ccccn35)CC4)cc(C(F)(F)F)c2)cn1
• InChI: InChI=1S/C28H23F3N6O/c1-18-15-36(17-33-18)23-12-21(28(29,30)31)11-22(13-23)34-27(38)20-6-5-19-7-9-35(25(19)10-20)16-24-14-32-26-4-2-3-8-37(24)26/h2-6,8,10-15,17H,7,9,16H2,1H3,(H,34,38)
• InChIKey: POBFDDZDHCTFKA-UHFFFAOYSA-N
• XLogP: 5.66
• TPSA: 67.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	516.53
LogP ≤ 5	5.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-6-carboxamide?

The IUPAC name of 1-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-6-carboxamide (CID 165142581) is 1-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-6-carboxamide.

What is the SMILES notation for 1-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-6-carboxamide?

The canonical SMILES for 1-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-6-carboxamide is Cc1cn(-c2cc(NC(=O)c3ccc4c(c3)N(Cc3cnc5ccccn35)CC4)cc(C(F)(F)F)c2)cn1.

What is the InChIKey of 1-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-6-carboxamide?

The InChIKey is POBFDDZDHCTFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23F3N6O/c1-18-15-36(17-33-18)23-12-21(28(29,30)31)11-22(13-23)34-27(38)20-6-5-19-7-9-35(25(19)10-20)16-24-14-32-26-4-2-3-8-37(24)26/h2-6,8,10-15,17H,7,9,16H2,1H3,(H,34,38).

What are the key properties of 1-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-6-carboxamide?

1-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-6-carboxamide has a molecular weight of 516.53 g/mol, XLogP of 5.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-6-carboxamide is sourced from PubChem (CID 165142581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).