3-ethyl-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-2-[3-fluoro-4-(2-methylpropyl)phenyl]imidazo[1,2-a]pyridine-7-carboxamide

C30H34FN3O4S — CID 146550431

About 3-ethyl-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-2-[3-fluoro-4-(2-methylpropyl)phenyl]imidazo[1,2-a]pyridine-7-carboxamide

3-ethyl-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-2-[3-fluoro-4-(2-methylpropyl)phenyl]imidazo[1,2-a]pyridine-7-carboxamide (PubChem CID 146550431) has the molecular formula C30H34FN3O4S and a molecular weight of 551.68 g/mol. Its IUPAC name is 3-ethyl-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-2-[3-fluoro-4-(2-methylpropyl)phenyl]imidazo[1,2-a]pyridine-7-carboxamide.

Molecular Properties

• Compound Name: 3-ethyl-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-2-[3-fluoro-4-(2-methylpropyl)phenyl]imidazo[1,2-a]pyridine-7-carboxamide
• PubChem CID: 146550431
• Molecular Formula: C30H34FN3O4S
• Molecular Weight: 551.68 g/mol
• Exact Mass: 551.23
• IUPAC Name: 3-ethyl-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-2-[3-fluoro-4-(2-methylpropyl)phenyl]imidazo[1,2-a]pyridine-7-carboxamide
• SMILES: CCc1c(-c2ccc(CC(C)C)c(F)c2)nc2cc(C(=O)N[C@@H](CO)c3ccc(S(=O)(=O)CC)cc3)ccn12
• InChI: InChI=1S/C30H34FN3O4S/c1-5-27-29(22-8-7-21(15-19(3)4)25(31)16-22)33-28-17-23(13-14-34(27)28)30(36)32-26(18-35)20-9-11-24(12-10-20)39(37,38)6-2/h7-14,16-17,19,26,35H,5-6,15,18H2,1-4H3,(H,32,36)/t26-/m0/s1
• InChIKey: CWMAKAWWJMCMND-SANMLTNESA-N
• XLogP: 5.16
• TPSA: 100.77 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	551.68
LogP ≤ 5	5.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-2-[3-fluoro-4-(2-methylpropyl)phenyl]imidazo[1,2-a]pyridine-7-carboxamide?

The IUPAC name of 3-ethyl-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-2-[3-fluoro-4-(2-methylpropyl)phenyl]imidazo[1,2-a]pyridine-7-carboxamide (CID 146550431) is 3-ethyl-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-2-[3-fluoro-4-(2-methylpropyl)phenyl]imidazo[1,2-a]pyridine-7-carboxamide.

What is the SMILES notation for 3-ethyl-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-2-[3-fluoro-4-(2-methylpropyl)phenyl]imidazo[1,2-a]pyridine-7-carboxamide?

The canonical SMILES for 3-ethyl-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-2-[3-fluoro-4-(2-methylpropyl)phenyl]imidazo[1,2-a]pyridine-7-carboxamide is CCc1c(-c2ccc(CC(C)C)c(F)c2)nc2cc(C(=O)N[C@@H](CO)c3ccc(S(=O)(=O)CC)cc3)ccn12.

What is the InChIKey of 3-ethyl-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-2-[3-fluoro-4-(2-methylpropyl)phenyl]imidazo[1,2-a]pyridine-7-carboxamide?

The InChIKey is CWMAKAWWJMCMND-SANMLTNESA-N. The full InChI is InChI=1S/C30H34FN3O4S/c1-5-27-29(22-8-7-21(15-19(3)4)25(31)16-22)33-28-17-23(13-14-34(27)28)30(36)32-26(18-35)20-9-11-24(12-10-20)39(37,38)6-2/h7-14,16-17,19,26,35H,5-6,15,18H2,1-4H3,(H,32,36)/t26-/m0/s1.

What are the key properties of 3-ethyl-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-2-[3-fluoro-4-(2-methylpropyl)phenyl]imidazo[1,2-a]pyridine-7-carboxamide?

3-ethyl-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-2-[3-fluoro-4-(2-methylpropyl)phenyl]imidazo[1,2-a]pyridine-7-carboxamide has a molecular weight of 551.68 g/mol, XLogP of 5.16, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-ethyl-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-2-[3-fluoro-4-(2-methylpropyl)phenyl]imidazo[1,2-a]pyridine-7-carboxamide is sourced from PubChem (CID 146550431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).