N-[(1S)-1-(4-chlorophenyl)ethyl]-3-[3-[(4-fluorophenyl)methyl]-5-methylimidazo[4,5-b]pyridin-2-yl]propanamide

C25H24ClFN4O — CID 122445752

About N-[(1S)-1-(4-chlorophenyl)ethyl]-3-[3-[(4-fluorophenyl)methyl]-5-methylimidazo[4,5-b]pyridin-2-yl]propanamide

N-[(1S)-1-(4-chlorophenyl)ethyl]-3-[3-[(4-fluorophenyl)methyl]-5-methylimidazo[4,5-b]pyridin-2-yl]propanamide (PubChem CID 122445752) has the molecular formula C25H24ClFN4O and a molecular weight of 450.95 g/mol. Its IUPAC name is N-[(1S)-1-(4-chlorophenyl)ethyl]-3-[3-[(4-fluorophenyl)methyl]-5-methylimidazo[4,5-b]pyridin-2-yl]propanamide.

Molecular Properties

• Compound Name: N-[(1S)-1-(4-chlorophenyl)ethyl]-3-[3-[(4-fluorophenyl)methyl]-5-methylimidazo[4,5-b]pyridin-2-yl]propanamide
• PubChem CID: 122445752
• Molecular Formula: C25H24ClFN4O
• Molecular Weight: 450.95 g/mol
• Exact Mass: 450.16
• IUPAC Name: N-[(1S)-1-(4-chlorophenyl)ethyl]-3-[3-[(4-fluorophenyl)methyl]-5-methylimidazo[4,5-b]pyridin-2-yl]propanamide
• SMILES: Cc1ccc2nc(CCC(=O)N[C@@H](C)c3ccc(Cl)cc3)n(Cc3ccc(F)cc3)c2n1
• InChI: InChI=1S/C25H24ClFN4O/c1-16-3-12-22-25(28-16)31(15-18-4-10-21(27)11-5-18)23(30-22)13-14-24(32)29-17(2)19-6-8-20(26)9-7-19/h3-12,17H,13-15H2,1-2H3,(H,29,32)/t17-/m0/s1
• InChIKey: ONURHUZIHAUJCY-KRWDZBQOSA-N
• XLogP: 5.39
• TPSA: 59.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	450.95
LogP ≤ 5	5.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-chlorophenyl)ethyl]-3-[3-[(4-fluorophenyl)methyl]-5-methylimidazo[4,5-b]pyridin-2-yl]propanamide?

The IUPAC name of N-[(1S)-1-(4-chlorophenyl)ethyl]-3-[3-[(4-fluorophenyl)methyl]-5-methylimidazo[4,5-b]pyridin-2-yl]propanamide (CID 122445752) is N-[(1S)-1-(4-chlorophenyl)ethyl]-3-[3-[(4-fluorophenyl)methyl]-5-methylimidazo[4,5-b]pyridin-2-yl]propanamide.

What is the SMILES notation for N-[(1S)-1-(4-chlorophenyl)ethyl]-3-[3-[(4-fluorophenyl)methyl]-5-methylimidazo[4,5-b]pyridin-2-yl]propanamide?

The canonical SMILES for N-[(1S)-1-(4-chlorophenyl)ethyl]-3-[3-[(4-fluorophenyl)methyl]-5-methylimidazo[4,5-b]pyridin-2-yl]propanamide is Cc1ccc2nc(CCC(=O)N[C@@H](C)c3ccc(Cl)cc3)n(Cc3ccc(F)cc3)c2n1.

What is the InChIKey of N-[(1S)-1-(4-chlorophenyl)ethyl]-3-[3-[(4-fluorophenyl)methyl]-5-methylimidazo[4,5-b]pyridin-2-yl]propanamide?

The InChIKey is ONURHUZIHAUJCY-KRWDZBQOSA-N. The full InChI is InChI=1S/C25H24ClFN4O/c1-16-3-12-22-25(28-16)31(15-18-4-10-21(27)11-5-18)23(30-22)13-14-24(32)29-17(2)19-6-8-20(26)9-7-19/h3-12,17H,13-15H2,1-2H3,(H,29,32)/t17-/m0/s1.

What are the key properties of N-[(1S)-1-(4-chlorophenyl)ethyl]-3-[3-[(4-fluorophenyl)methyl]-5-methylimidazo[4,5-b]pyridin-2-yl]propanamide?

N-[(1S)-1-(4-chlorophenyl)ethyl]-3-[3-[(4-fluorophenyl)methyl]-5-methylimidazo[4,5-b]pyridin-2-yl]propanamide has a molecular weight of 450.95 g/mol, XLogP of 5.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-1-(4-chlorophenyl)ethyl]-3-[3-[(4-fluorophenyl)methyl]-5-methylimidazo[4,5-b]pyridin-2-yl]propanamide is sourced from PubChem (CID 122445752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).