(2S)-2-cyclopentyl-N-[(1R)-2-hydroxy-1-phenylethyl]-2-[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]acetamide

C32H38N4O2 — CID 10118385

About (2S)-2-cyclopentyl-N-[(1R)-2-hydroxy-1-phenylethyl]-2-[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]acetamide

(2S)-2-cyclopentyl-N-[(1R)-2-hydroxy-1-phenylethyl]-2-[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]acetamide (PubChem CID 10118385) has the molecular formula C32H38N4O2 and a molecular weight of 510.68 g/mol. Its IUPAC name is (2S)-2-cyclopentyl-N-[(1R)-2-hydroxy-1-phenylethyl]-2-[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]acetamide.

Molecular Properties

• Compound Name: (2S)-2-cyclopentyl-N-[(1R)-2-hydroxy-1-phenylethyl]-2-[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]acetamide
• PubChem CID: 10118385
• Molecular Formula: C32H38N4O2
• Molecular Weight: 510.68 g/mol
• Exact Mass: 510.30
• IUPAC Name: (2S)-2-cyclopentyl-N-[(1R)-2-hydroxy-1-phenylethyl]-2-[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]acetamide
• SMILES: CCCc1nc2c(C)ccnc2n1Cc1ccc([C@@H](C(=O)N[C@@H](CO)c2ccccc2)C2CCCC2)cc1
• InChI: InChI=1S/C32H38N4O2/c1-3-9-28-35-30-22(2)18-19-33-31(30)36(28)20-23-14-16-26(17-15-23)29(25-12-7-8-13-25)32(38)34-27(21-37)24-10-5-4-6-11-24/h4-6,10-11,14-19,25,27,29,37H,3,7-9,12-13,20-21H2,1-2H3,(H,34,38)/t27-,29-/m0/s1
• InChIKey: XTZMZCDOXJIRMJ-YTMVLYRLSA-N
• XLogP: 5.86
• TPSA: 80.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	510.68
LogP ≤ 5	5.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclopentyl-N-[(1R)-2-hydroxy-1-phenylethyl]-2-[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]acetamide?

The IUPAC name of (2S)-2-cyclopentyl-N-[(1R)-2-hydroxy-1-phenylethyl]-2-[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]acetamide (CID 10118385) is (2S)-2-cyclopentyl-N-[(1R)-2-hydroxy-1-phenylethyl]-2-[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]acetamide.

What is the SMILES notation for (2S)-2-cyclopentyl-N-[(1R)-2-hydroxy-1-phenylethyl]-2-[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]acetamide?

The canonical SMILES for (2S)-2-cyclopentyl-N-[(1R)-2-hydroxy-1-phenylethyl]-2-[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]acetamide is CCCc1nc2c(C)ccnc2n1Cc1ccc([C@@H](C(=O)N[C@@H](CO)c2ccccc2)C2CCCC2)cc1.

What is the InChIKey of (2S)-2-cyclopentyl-N-[(1R)-2-hydroxy-1-phenylethyl]-2-[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]acetamide?

The InChIKey is XTZMZCDOXJIRMJ-YTMVLYRLSA-N. The full InChI is InChI=1S/C32H38N4O2/c1-3-9-28-35-30-22(2)18-19-33-31(30)36(28)20-23-14-16-26(17-15-23)29(25-12-7-8-13-25)32(38)34-27(21-37)24-10-5-4-6-11-24/h4-6,10-11,14-19,25,27,29,37H,3,7-9,12-13,20-21H2,1-2H3,(H,34,38)/t27-,29-/m0/s1.

What are the key properties of (2S)-2-cyclopentyl-N-[(1R)-2-hydroxy-1-phenylethyl]-2-[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]acetamide?

(2S)-2-cyclopentyl-N-[(1R)-2-hydroxy-1-phenylethyl]-2-[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]acetamide has a molecular weight of 510.68 g/mol, XLogP of 5.86, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-cyclopentyl-N-[(1R)-2-hydroxy-1-phenylethyl]-2-[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]acetamide is sourced from PubChem (CID 10118385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).