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

C34H35N3O2 — CID 10279530

IUPAC(2S)-2-cyclopentyl-N-[(1R)-2-hydroxy-1-phenylethyl]-2-[4-[(2-methylpyrido[2,3-b]indol-9-yl)methyl]phenyl]acetamide
SMILESCc1ccc2c3ccccc3n(Cc3ccc([C@@H](C(=O)N[C@@H](CO)c4ccccc4)C4CCCC4)cc3)c2n1
InChIInChI=1S/C34H35N3O2/c1-23-15-20-29-28-13-7-8-14-31(28)37(33(29)35-23)21-24-16-18-27(19-17-24)32(26-11-5-6-12-26)34(39)36-30(22-38)25-9-3-2-4-10-25/h2-4,7-10,13-20,26,30,32,38H,5-6,11-12,21-22H2,1H3,(H,36,39)/t30-,32-/m0/s1
InChIKeyNYNAWAJSRGBWEQ-CDZUIXILSA-N
MW517.67 g/mol
LogP6.67
Rot. Bonds8

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

(2S)-2-cyclopentyl-N-[(1R)-2-hydroxy-1-phenylethyl]-2-[4-[(2-methylpyrido[2,3-b]indol-9-yl)methyl]phenyl]acetamide (PubChem CID 10279530) has the molecular formula C34H35N3O2 and a molecular weight of 517.67 g/mol. Its IUPAC name is (2S)-2-cyclopentyl-N-[(1R)-2-hydroxy-1-phenylethyl]-2-[4-[(2-methylpyrido[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-methylpyrido[2,3-b]indol-9-yl)methyl]phenyl]acetamide
PubChem CID10279530
Molecular FormulaC34H35N3O2
Molecular Weight517.67 g/mol
Exact Mass517.27
IUPAC Name(2S)-2-cyclopentyl-N-[(1R)-2-hydroxy-1-phenylethyl]-2-[4-[(2-methylpyrido[2,3-b]indol-9-yl)methyl]phenyl]acetamide
SMILESCc1ccc2c3ccccc3n(Cc3ccc([C@@H](C(=O)N[C@@H](CO)c4ccccc4)C4CCCC4)cc3)c2n1
InChIInChI=1S/C34H35N3O2/c1-23-15-20-29-28-13-7-8-14-31(28)37(33(29)35-23)21-24-16-18-27(19-17-24)32(26-11-5-6-12-26)34(39)36-30(22-38)25-9-3-2-4-10-25/h2-4,7-10,13-20,26,30,32,38H,5-6,11-12,21-22H2,1H3,(H,36,39)/t30-,32-/m0/s1
InChIKeyNYNAWAJSRGBWEQ-CDZUIXILSA-N
XLogP6.67
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.67
LogP ≤ 56.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-cyclohexyl-2-[4-[(2,4-dimethylpyrido[2,3-b]indol-9-yl)methyl]phenyl]-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
CID 10119877
(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
2-cycloheptyl-2-[4-[(2,3-dimethylindol-1-yl)methyl]phenyl]-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
CID 54565773
2-cyclohexyl-N-[(1R)-2-hydroxy-1-phenylethyl]-2-[4-[(4-methylpyrido[2,3-b]indol-9-yl)methyl]phenyl]acetamide
CID 142034937
actinium;[4-[1-[[2-cyclopentyl-2-[4-[(2,4-dimethylpyrido[2,3-b]indol-9-yl)methyl]phenyl]acetyl]amino]-2-hydroxyethyl]phenyl]azanide
CID 22896621
(2S)-2-cyclopentyl-2-[4-[(4-ethylpyrido[2,3-b]indol-9-yl)methyl]phenyl]-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
CID 142102968
(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
(2S)-2-cyclopentyl-2-[4-[[1,3-dimethyl-8-(3-methylphenyl)-2,6-dioxopurin-7-yl]methyl]phenyl]-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
CID 10189025
(2S)-2-cyclopentyl-2-[4-[(2,4-dimethylpyrido[2,3-b]indol-9-yl)methyl]phenyl]-N-(1-phenylethenyl)acetamide
CID 59942167
2-cyclopentyl-N-[(1R)-2-hydroxy-1-phenylethyl]-2-[4-[(3-methyl-2,4-dioxo-6,7,8,9-tetrahydro-1H-pyrimido[5,4-b]indol-5-yl)methyl]phenyl]acetamide
CID 142035019
2-cyclopentyl-N-[(4-methoxyphenyl)methyl]-2-[4-(pyrimido[4,5-b]indol-9-ylmethyl)phenyl]acetamide
CID 142034957
2-cycloheptyl-2-[4-[(2-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-9-yl)methyl]phenyl]acetic acid
CID 22896608

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclopentyl-N-[(1R)-2-hydroxy-1-phenylethyl]-2-[4-[(2-methylpyrido[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-methylpyrido[2,3-b]indol-9-yl)methyl]phenyl]acetamide (CID 10279530) is (2S)-2-cyclopentyl-N-[(1R)-2-hydroxy-1-phenylethyl]-2-[4-[(2-methylpyrido[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-methylpyrido[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-methylpyrido[2,3-b]indol-9-yl)methyl]phenyl]acetamide is Cc1ccc2c3ccccc3n(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-methylpyrido[2,3-b]indol-9-yl)methyl]phenyl]acetamide?
The InChIKey is NYNAWAJSRGBWEQ-CDZUIXILSA-N. The full InChI is InChI=1S/C34H35N3O2/c1-23-15-20-29-28-13-7-8-14-31(28)37(33(29)35-23)21-24-16-18-27(19-17-24)32(26-11-5-6-12-26)34(39)36-30(22-38)25-9-3-2-4-10-25/h2-4,7-10,13-20,26,30,32,38H,5-6,11-12,21-22H2,1H3,(H,36,39)/t30-,32-/m0/s1.
What are the key properties of (2S)-2-cyclopentyl-N-[(1R)-2-hydroxy-1-phenylethyl]-2-[4-[(2-methylpyrido[2,3-b]indol-9-yl)methyl]phenyl]acetamide?
(2S)-2-cyclopentyl-N-[(1R)-2-hydroxy-1-phenylethyl]-2-[4-[(2-methylpyrido[2,3-b]indol-9-yl)methyl]phenyl]acetamide has a molecular weight of 517.67 g/mol, XLogP of 6.67, 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-methylpyrido[2,3-b]indol-9-yl)methyl]phenyl]acetamide is sourced from PubChem (CID 10279530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).