6-chloro-2-ethyl-N-[[2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinolin-6-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide

C28H26ClF3N4O — CID 155528662

About 6-chloro-2-ethyl-N-[[2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinolin-6-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide

6-chloro-2-ethyl-N-[[2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinolin-6-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 155528662) has the molecular formula C28H26ClF3N4O and a molecular weight of 526.99 g/mol. Its IUPAC name is 6-chloro-2-ethyl-N-[[2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinolin-6-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-chloro-2-ethyl-N-[[2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinolin-6-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 155528662
• Molecular Formula: C28H26ClF3N4O
• Molecular Weight: 526.99 g/mol
• Exact Mass: 526.17
• IUPAC Name: 6-chloro-2-ethyl-N-[[2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinolin-6-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
• SMILES: CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc2c(c1)CCN(Cc1ccc(C(F)(F)F)cc1)C2
• InChI: InChI=1S/C28H26ClF3N4O/c1-2-24-26(36-17-23(29)9-10-25(36)34-24)27(37)33-14-19-3-6-21-16-35(12-11-20(21)13-19)15-18-4-7-22(8-5-18)28(30,31)32/h3-10,13,17H,2,11-12,14-16H2,1H3,(H,33,37)
• InChIKey: LWRJLAXLHVLACK-UHFFFAOYSA-N
• XLogP: 6.06
• TPSA: 49.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	526.99
LogP ≤ 5	6.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethyl-N-[[2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinolin-6-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?

The IUPAC name of 6-chloro-2-ethyl-N-[[2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinolin-6-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 155528662) is 6-chloro-2-ethyl-N-[[2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinolin-6-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide.

What is the SMILES notation for 6-chloro-2-ethyl-N-[[2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinolin-6-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?

The canonical SMILES for 6-chloro-2-ethyl-N-[[2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinolin-6-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide is CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc2c(c1)CCN(Cc1ccc(C(F)(F)F)cc1)C2.

What is the InChIKey of 6-chloro-2-ethyl-N-[[2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinolin-6-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?

The InChIKey is LWRJLAXLHVLACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26ClF3N4O/c1-2-24-26(36-17-23(29)9-10-25(36)34-24)27(37)33-14-19-3-6-21-16-35(12-11-20(21)13-19)15-18-4-7-22(8-5-18)28(30,31)32/h3-10,13,17H,2,11-12,14-16H2,1H3,(H,33,37).

What are the key properties of 6-chloro-2-ethyl-N-[[2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinolin-6-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?

6-chloro-2-ethyl-N-[[2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinolin-6-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 526.99 g/mol, XLogP of 6.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-2-ethyl-N-[[2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinolin-6-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 155528662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).