(3S)-3-(4-chlorophenyl)-2-[[3-[[4-(difluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]methyl]butanamide

C25H23ClF2N4O2 — CID 140836291

About (3S)-3-(4-chlorophenyl)-2-[[3-[[4-(difluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]methyl]butanamide

(3S)-3-(4-chlorophenyl)-2-[[3-[[4-(difluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]methyl]butanamide (PubChem CID 140836291) has the molecular formula C25H23ClF2N4O2 and a molecular weight of 484.93 g/mol. Its IUPAC name is (3S)-3-(4-chlorophenyl)-2-[[3-[[4-(difluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]methyl]butanamide.

Molecular Properties

• Compound Name: (3S)-3-(4-chlorophenyl)-2-[[3-[[4-(difluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]methyl]butanamide
• PubChem CID: 140836291
• Molecular Formula: C25H23ClF2N4O2
• Molecular Weight: 484.93 g/mol
• Exact Mass: 484.15
• IUPAC Name: (3S)-3-(4-chlorophenyl)-2-[[3-[[4-(difluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]methyl]butanamide
• SMILES: C[C@H](c1ccc(Cl)cc1)C(Cc1nc2cccnc2n1Cc1ccc(OC(F)F)cc1)C(N)=O
• InChI: InChI=1S/C25H23ClF2N4O2/c1-15(17-6-8-18(26)9-7-17)20(23(29)33)13-22-31-21-3-2-12-30-24(21)32(22)14-16-4-10-19(11-5-16)34-25(27)28/h2-12,15,20,25H,13-14H2,1H3,(H2,29,33)/t15-,20?/m1/s1
• InChIKey: SAQZESLRRHOQEJ-IWPPFLRJSA-N
• XLogP: 5.18
• TPSA: 83.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.93
LogP ≤ 5	5.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-chlorophenyl)-2-[[3-[[4-(difluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]methyl]butanamide?

The IUPAC name of (3S)-3-(4-chlorophenyl)-2-[[3-[[4-(difluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]methyl]butanamide (CID 140836291) is (3S)-3-(4-chlorophenyl)-2-[[3-[[4-(difluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]methyl]butanamide.

What is the SMILES notation for (3S)-3-(4-chlorophenyl)-2-[[3-[[4-(difluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]methyl]butanamide?

The canonical SMILES for (3S)-3-(4-chlorophenyl)-2-[[3-[[4-(difluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]methyl]butanamide is C[C@H](c1ccc(Cl)cc1)C(Cc1nc2cccnc2n1Cc1ccc(OC(F)F)cc1)C(N)=O.

What is the InChIKey of (3S)-3-(4-chlorophenyl)-2-[[3-[[4-(difluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]methyl]butanamide?

The InChIKey is SAQZESLRRHOQEJ-IWPPFLRJSA-N. The full InChI is InChI=1S/C25H23ClF2N4O2/c1-15(17-6-8-18(26)9-7-17)20(23(29)33)13-22-31-21-3-2-12-30-24(21)32(22)14-16-4-10-19(11-5-16)34-25(27)28/h2-12,15,20,25H,13-14H2,1H3,(H2,29,33)/t15-,20?/m1/s1.

What are the key properties of (3S)-3-(4-chlorophenyl)-2-[[3-[[4-(difluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]methyl]butanamide?

(3S)-3-(4-chlorophenyl)-2-[[3-[[4-(difluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]methyl]butanamide has a molecular weight of 484.93 g/mol, XLogP of 5.18, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-3-(4-chlorophenyl)-2-[[3-[[4-(difluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]methyl]butanamide is sourced from PubChem (CID 140836291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).