1-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-methyl-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroindole-6-carboxamide

C25H21F3N4O — CID 165142606

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

1-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-methyl-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroindole-6-carboxamide (PubChem CID 165142606) has the molecular formula C25H21F3N4O and a molecular weight of 450.46 g/mol. Its IUPAC name is 1-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-methyl-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroindole-6-carboxamide.

Molecular Properties

• Compound Name: 1-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-methyl-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroindole-6-carboxamide
• PubChem CID: 165142606
• Molecular Formula: C25H21F3N4O
• Molecular Weight: 450.46 g/mol
• Exact Mass: 450.17
• IUPAC Name: 1-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-methyl-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroindole-6-carboxamide
• SMILES: CC1CN(Cc2cnc3ccccn23)c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)ccc21
• InChI: InChI=1S/C25H21F3N4O/c1-16-14-31(15-20-13-29-23-7-2-3-10-32(20)23)22-11-17(8-9-21(16)22)24(33)30-19-6-4-5-18(12-19)25(26,27)28/h2-13,16H,14-15H2,1H3,(H,30,33)
• InChIKey: ATIBGGYXFRGHKL-UHFFFAOYSA-N
• XLogP: 5.73
• TPSA: 49.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	450.46
LogP ≤ 5	5.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 1-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-methyl-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroindole-6-carboxamide (CID 165142606) is 1-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-methyl-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroindole-6-carboxamide.

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

The canonical SMILES for 1-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-methyl-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroindole-6-carboxamide is CC1CN(Cc2cnc3ccccn23)c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)ccc21.

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

The InChIKey is ATIBGGYXFRGHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F3N4O/c1-16-14-31(15-20-13-29-23-7-2-3-10-32(20)23)22-11-17(8-9-21(16)22)24(33)30-19-6-4-5-18(12-19)25(26,27)28/h2-13,16H,14-15H2,1H3,(H,30,33).

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

1-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-methyl-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroindole-6-carboxamide has a molecular weight of 450.46 g/mol, XLogP of 5.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-methyl-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroindole-6-carboxamide is sourced from PubChem (CID 165142606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).