(2S)-2-cyclopentyl-N-[(1R)-2-hydroxy-1-phenylethyl]-2-[4-[[2-methyl-4-(trifluoromethyl)pyrido[2,3-b]indol-9-yl]methyl]phenyl]acetamide

C35H34F3N3O2 — CID 10188596

About (2S)-2-cyclopentyl-N-[(1R)-2-hydroxy-1-phenylethyl]-2-[4-[[2-methyl-4-(trifluoromethyl)pyrido[2,3-b]indol-9-yl]methyl]phenyl]acetamide

(2S)-2-cyclopentyl-N-[(1R)-2-hydroxy-1-phenylethyl]-2-[4-[[2-methyl-4-(trifluoromethyl)pyrido[2,3-b]indol-9-yl]methyl]phenyl]acetamide (PubChem CID 10188596) has the molecular formula C35H34F3N3O2 and a molecular weight of 585.67 g/mol. Its IUPAC name is (2S)-2-cyclopentyl-N-[(1R)-2-hydroxy-1-phenylethyl]-2-[4-[[2-methyl-4-(trifluoromethyl)pyrido[2,3-b]indol-9-yl]methyl]phenyl]acetamide.

Molecular Properties

• Compound Name: (2S)-2-cyclopentyl-N-[(1R)-2-hydroxy-1-phenylethyl]-2-[4-[[2-methyl-4-(trifluoromethyl)pyrido[2,3-b]indol-9-yl]methyl]phenyl]acetamide
• PubChem CID: 10188596
• Molecular Formula: C35H34F3N3O2
• Molecular Weight: 585.67 g/mol
• Exact Mass: 585.26
• IUPAC Name: (2S)-2-cyclopentyl-N-[(1R)-2-hydroxy-1-phenylethyl]-2-[4-[[2-methyl-4-(trifluoromethyl)pyrido[2,3-b]indol-9-yl]methyl]phenyl]acetamide
• SMILES: Cc1cc(C(F)(F)F)c2c3ccccc3n(Cc3ccc([C@@H](C(=O)N[C@@H](CO)c4ccccc4)C4CCCC4)cc3)c2n1
• InChI: InChI=1S/C35H34F3N3O2/c1-22-19-28(35(36,37)38)32-27-13-7-8-14-30(27)41(33(32)39-22)20-23-15-17-26(18-16-23)31(25-11-5-6-12-25)34(43)40-29(21-42)24-9-3-2-4-10-24/h2-4,7-10,13-19,25,29,31,42H,5-6,11-12,20-21H2,1H3,(H,40,43)/t29-,31-/m0/s1
• InChIKey: BACPXHIGHLNFDC-SMCANUKXSA-N
• XLogP: 7.69
• TPSA: 67.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	585.67
LogP ≤ 5	7.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclopentyl-N-[(1R)-2-hydroxy-1-phenylethyl]-2-[4-[[2-methyl-4-(trifluoromethyl)pyrido[2,3-b]indol-9-yl]methyl]phenyl]acetamide?

The IUPAC name of (2S)-2-cyclopentyl-N-[(1R)-2-hydroxy-1-phenylethyl]-2-[4-[[2-methyl-4-(trifluoromethyl)pyrido[2,3-b]indol-9-yl]methyl]phenyl]acetamide (CID 10188596) is (2S)-2-cyclopentyl-N-[(1R)-2-hydroxy-1-phenylethyl]-2-[4-[[2-methyl-4-(trifluoromethyl)pyrido[2,3-b]indol-9-yl]methyl]phenyl]acetamide.

What is the SMILES notation for (2S)-2-cyclopentyl-N-[(1R)-2-hydroxy-1-phenylethyl]-2-[4-[[2-methyl-4-(trifluoromethyl)pyrido[2,3-b]indol-9-yl]methyl]phenyl]acetamide?

The canonical SMILES for (2S)-2-cyclopentyl-N-[(1R)-2-hydroxy-1-phenylethyl]-2-[4-[[2-methyl-4-(trifluoromethyl)pyrido[2,3-b]indol-9-yl]methyl]phenyl]acetamide is Cc1cc(C(F)(F)F)c2c3ccccc3n(Cc3ccc([C@@H](C(=O)N[C@@H](CO)c4ccccc4)C4CCCC4)cc3)c2n1.

What is the InChIKey of (2S)-2-cyclopentyl-N-[(1R)-2-hydroxy-1-phenylethyl]-2-[4-[[2-methyl-4-(trifluoromethyl)pyrido[2,3-b]indol-9-yl]methyl]phenyl]acetamide?

The InChIKey is BACPXHIGHLNFDC-SMCANUKXSA-N. The full InChI is InChI=1S/C35H34F3N3O2/c1-22-19-28(35(36,37)38)32-27-13-7-8-14-30(27)41(33(32)39-22)20-23-15-17-26(18-16-23)31(25-11-5-6-12-25)34(43)40-29(21-42)24-9-3-2-4-10-24/h2-4,7-10,13-19,25,29,31,42H,5-6,11-12,20-21H2,1H3,(H,40,43)/t29-,31-/m0/s1.

What are the key properties of (2S)-2-cyclopentyl-N-[(1R)-2-hydroxy-1-phenylethyl]-2-[4-[[2-methyl-4-(trifluoromethyl)pyrido[2,3-b]indol-9-yl]methyl]phenyl]acetamide?

(2S)-2-cyclopentyl-N-[(1R)-2-hydroxy-1-phenylethyl]-2-[4-[[2-methyl-4-(trifluoromethyl)pyrido[2,3-b]indol-9-yl]methyl]phenyl]acetamide has a molecular weight of 585.67 g/mol, XLogP of 7.69, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-cyclopentyl-N-[(1R)-2-hydroxy-1-phenylethyl]-2-[4-[[2-methyl-4-(trifluoromethyl)pyrido[2,3-b]indol-9-yl]methyl]phenyl]acetamide is sourced from PubChem (CID 10188596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).