(2R)-2-[(4-hydroxyphenyl)methyl]-4-oxo-5-[(1-phenyl-3-pyridin-3-ylpyrazol-5-yl)methylamino]pentanamide

C27H27N5O3 — CID 159561512

IUPAC(2R)-2-[(4-hydroxyphenyl)methyl]-4-oxo-5-[(1-phenyl-3-pyridin-3-ylpyrazol-5-yl)methylamino]pentanamide
SMILESNC(=O)[C@@H](CC(=O)CNCc1cc(-c2cccnc2)nn1-c1ccccc1)Cc1ccc(O)cc1
InChIInChI=1S/C27H27N5O3/c28-27(35)21(13-19-8-10-24(33)11-9-19)14-25(34)18-30-17-23-15-26(20-5-4-12-29-16-20)31-32(23)22-6-2-1-3-7-22/h1-12,15-16,21,30,33H,13-14,17-18H2,(H2,28,35)/t21-/m1/s1
InChIKeyQJISGMRNCRPTSW-OAQYLSRUSA-N
MW469.55 g/mol
LogP3.03
Rot. Bonds11

About (2R)-2-[(4-hydroxyphenyl)methyl]-4-oxo-5-[(1-phenyl-3-pyridin-3-ylpyrazol-5-yl)methylamino]pentanamide

(2R)-2-[(4-hydroxyphenyl)methyl]-4-oxo-5-[(1-phenyl-3-pyridin-3-ylpyrazol-5-yl)methylamino]pentanamide (PubChem CID 159561512) has the molecular formula C27H27N5O3 and a molecular weight of 469.55 g/mol. Its IUPAC name is (2R)-2-[(4-hydroxyphenyl)methyl]-4-oxo-5-[(1-phenyl-3-pyridin-3-ylpyrazol-5-yl)methylamino]pentanamide.

Molecular Properties

Compound Name(2R)-2-[(4-hydroxyphenyl)methyl]-4-oxo-5-[(1-phenyl-3-pyridin-3-ylpyrazol-5-yl)methylamino]pentanamide
PubChem CID159561512
Molecular FormulaC27H27N5O3
Molecular Weight469.55 g/mol
Exact Mass469.21
IUPAC Name(2R)-2-[(4-hydroxyphenyl)methyl]-4-oxo-5-[(1-phenyl-3-pyridin-3-ylpyrazol-5-yl)methylamino]pentanamide
SMILESNC(=O)[C@@H](CC(=O)CNCc1cc(-c2cccnc2)nn1-c1ccccc1)Cc1ccc(O)cc1
InChIInChI=1S/C27H27N5O3/c28-27(35)21(13-19-8-10-24(33)11-9-19)14-25(34)18-30-17-23-15-26(20-5-4-12-29-16-20)31-32(23)22-6-2-1-3-7-22/h1-12,15-16,21,30,33H,13-14,17-18H2,(H2,28,35)/t21-/m1/s1
InChIKeyQJISGMRNCRPTSW-OAQYLSRUSA-N
XLogP3.03
TPSA123.13 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.55
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-5-[1-(4-tert-butylphenyl)-3-pyridin-3-ylpyrazol-5-yl]pentanamide
CID 20810346
N-[2-amino-3-(4-hydroxyphenyl)propanoyl]-5-[1-(4-propan-2-ylphenyl)-3-pyridin-3-ylpyrazol-5-yl]pentanamide
CID 22385851
N-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-3-[1-(4-tert-butylphenyl)-3-pyridin-3-ylpyrazol-5-yl]benzamide
CID 69250990
1-phenyl-3-pyridin-3-ylpyrazole-5-carboxylic acid
CID 82370993
N-[2-amino-3-(4-hydroxyphenyl)propanoyl]-4-[[1-(4-tert-butylphenyl)-3-pyridin-3-ylpyrazol-5-yl]amino]butanamide
CID 22385838
N-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-4-[1-(4-tert-butylphenyl)-3-pyridin-3-ylpyrazol-5-yl]benzamide
CID 69249098
(2S)-2-[3-[[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]methyl-ethylamino]propanoylamino]-3-phenylpropanamide
CID 58784769
N-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-4-[[1-(4-tert-butylphenyl)-3-pyridin-3-ylpyrazol-5-yl]amino]-N-(2-hydroxyethyl)butanamide
CID 69252448
N-acetyl-2-amino-N-[3-[[1-(4-tert-butylphenyl)-3-pyridin-3-ylpyrazol-5-yl]amino]propyl]-3-(4-hydroxyphenyl)propanamide
CID 22385843
(2R)-2-[(1-benzylimidazol-4-yl)methyl]-5-[(1R,3S)-3-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]-2,2-dimethylcyclobutyl]-4-oxopentanamide
CID 59727981
N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-[1-(4-nitrophenyl)-3-pyridin-3-ylpyrazol-5-yl]oxybutanamide
CID 58784815
benzene-1,3-dicarboxylic acid;1-phenyl-3-pyridin-3-ylpyrazol-5-amine
CID 174704828

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-hydroxyphenyl)methyl]-4-oxo-5-[(1-phenyl-3-pyridin-3-ylpyrazol-5-yl)methylamino]pentanamide?
The IUPAC name of (2R)-2-[(4-hydroxyphenyl)methyl]-4-oxo-5-[(1-phenyl-3-pyridin-3-ylpyrazol-5-yl)methylamino]pentanamide (CID 159561512) is (2R)-2-[(4-hydroxyphenyl)methyl]-4-oxo-5-[(1-phenyl-3-pyridin-3-ylpyrazol-5-yl)methylamino]pentanamide.
What is the SMILES notation for (2R)-2-[(4-hydroxyphenyl)methyl]-4-oxo-5-[(1-phenyl-3-pyridin-3-ylpyrazol-5-yl)methylamino]pentanamide?
The canonical SMILES for (2R)-2-[(4-hydroxyphenyl)methyl]-4-oxo-5-[(1-phenyl-3-pyridin-3-ylpyrazol-5-yl)methylamino]pentanamide is NC(=O)[C@@H](CC(=O)CNCc1cc(-c2cccnc2)nn1-c1ccccc1)Cc1ccc(O)cc1.
What is the InChIKey of (2R)-2-[(4-hydroxyphenyl)methyl]-4-oxo-5-[(1-phenyl-3-pyridin-3-ylpyrazol-5-yl)methylamino]pentanamide?
The InChIKey is QJISGMRNCRPTSW-OAQYLSRUSA-N. The full InChI is InChI=1S/C27H27N5O3/c28-27(35)21(13-19-8-10-24(33)11-9-19)14-25(34)18-30-17-23-15-26(20-5-4-12-29-16-20)31-32(23)22-6-2-1-3-7-22/h1-12,15-16,21,30,33H,13-14,17-18H2,(H2,28,35)/t21-/m1/s1.
What are the key properties of (2R)-2-[(4-hydroxyphenyl)methyl]-4-oxo-5-[(1-phenyl-3-pyridin-3-ylpyrazol-5-yl)methylamino]pentanamide?
(2R)-2-[(4-hydroxyphenyl)methyl]-4-oxo-5-[(1-phenyl-3-pyridin-3-ylpyrazol-5-yl)methylamino]pentanamide has a molecular weight of 469.55 g/mol, XLogP of 3.03, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-hydroxyphenyl)methyl]-4-oxo-5-[(1-phenyl-3-pyridin-3-ylpyrazol-5-yl)methylamino]pentanamide is sourced from PubChem (CID 159561512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).