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

C27H26ClFN4O — CID 155512809

About 7-chloro-2-ethyl-N-[[2-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide

7-chloro-2-ethyl-N-[[2-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 155512809) has the molecular formula C27H26ClFN4O and a molecular weight of 476.98 g/mol. Its IUPAC name is 7-chloro-2-ethyl-N-[[2-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 7-chloro-2-ethyl-N-[[2-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 155512809
• Molecular Formula: C27H26ClFN4O
• Molecular Weight: 476.98 g/mol
• Exact Mass: 476.18
• IUPAC Name: 7-chloro-2-ethyl-N-[[2-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
• SMILES: CCc1nc2cc(Cl)ccn2c1C(=O)NCc1ccc2c(c1)CCN(Cc1ccc(F)cc1)C2
• InChI: InChI=1S/C27H26ClFN4O/c1-2-24-26(33-12-10-22(28)14-25(33)31-24)27(34)30-15-19-3-6-21-17-32(11-9-20(21)13-19)16-18-4-7-23(29)8-5-18/h3-8,10,12-14H,2,9,11,15-17H2,1H3,(H,30,34)
• InChIKey: SVZKWMJZKPRGSG-UHFFFAOYSA-N
• XLogP: 5.18
• TPSA: 49.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	476.98
LogP ≤ 5	5.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-ethyl-N-[[2-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?

The IUPAC name of 7-chloro-2-ethyl-N-[[2-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 155512809) is 7-chloro-2-ethyl-N-[[2-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide.

What is the SMILES notation for 7-chloro-2-ethyl-N-[[2-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?

The canonical SMILES for 7-chloro-2-ethyl-N-[[2-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide is CCc1nc2cc(Cl)ccn2c1C(=O)NCc1ccc2c(c1)CCN(Cc1ccc(F)cc1)C2.

What is the InChIKey of 7-chloro-2-ethyl-N-[[2-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?

The InChIKey is SVZKWMJZKPRGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26ClFN4O/c1-2-24-26(33-12-10-22(28)14-25(33)31-24)27(34)30-15-19-3-6-21-17-32(11-9-20(21)13-19)16-18-4-7-23(29)8-5-18/h3-8,10,12-14H,2,9,11,15-17H2,1H3,(H,30,34).

What are the key properties of 7-chloro-2-ethyl-N-[[2-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?

7-chloro-2-ethyl-N-[[2-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 476.98 g/mol, XLogP of 5.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-chloro-2-ethyl-N-[[2-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 155512809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).