2-hydroxy-5-(4-phenylphenyl)-4-[(3-pyrazin-2-yl-1H-pyrazole-5-carbonyl)amino]pentanoic acid

C25H23N5O4 — CID 67969795

IUPAC2-hydroxy-5-(4-phenylphenyl)-4-[(3-pyrazin-2-yl-1H-pyrazole-5-carbonyl)amino]pentanoic acid
SMILESO=C(NC(Cc1ccc(-c2ccccc2)cc1)CC(O)C(=O)O)c1cc(-c2cnccn2)n[nH]1
InChIInChI=1S/C25H23N5O4/c31-23(25(33)34)13-19(12-16-6-8-18(9-7-16)17-4-2-1-3-5-17)28-24(32)21-14-20(29-30-21)22-15-26-10-11-27-22/h1-11,14-15,19,23,31H,12-13H2,(H,28,32)(H,29,30)(H,33,34)
InChIKeyPIPIRKUSVIBCNP-UHFFFAOYSA-N
MW457.49 g/mol
LogP2.71
Rot. Bonds9

About 2-hydroxy-5-(4-phenylphenyl)-4-[(3-pyrazin-2-yl-1H-pyrazole-5-carbonyl)amino]pentanoic acid

2-hydroxy-5-(4-phenylphenyl)-4-[(3-pyrazin-2-yl-1H-pyrazole-5-carbonyl)amino]pentanoic acid (PubChem CID 67969795) has the molecular formula C25H23N5O4 and a molecular weight of 457.49 g/mol. Its IUPAC name is 2-hydroxy-5-(4-phenylphenyl)-4-[(3-pyrazin-2-yl-1H-pyrazole-5-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name2-hydroxy-5-(4-phenylphenyl)-4-[(3-pyrazin-2-yl-1H-pyrazole-5-carbonyl)amino]pentanoic acid
PubChem CID67969795
Molecular FormulaC25H23N5O4
Molecular Weight457.49 g/mol
Exact Mass457.18
IUPAC Name2-hydroxy-5-(4-phenylphenyl)-4-[(3-pyrazin-2-yl-1H-pyrazole-5-carbonyl)amino]pentanoic acid
SMILESO=C(NC(Cc1ccc(-c2ccccc2)cc1)CC(O)C(=O)O)c1cc(-c2cnccn2)n[nH]1
InChIInChI=1S/C25H23N5O4/c31-23(25(33)34)13-19(12-16-6-8-18(9-7-16)17-4-2-1-3-5-17)28-24(32)21-14-20(29-30-21)22-15-26-10-11-27-22/h1-11,14-15,19,23,31H,12-13H2,(H,28,32)(H,29,30)(H,33,34)
InChIKeyPIPIRKUSVIBCNP-UHFFFAOYSA-N
XLogP2.71
TPSA141.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.49
LogP ≤ 52.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-hydroxy-5-(4-phenylphenyl)-4-[(3-pyrazin-2-yl-1H-pyrazole-5-carbonyl)amino]pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[4-(3-chlorophenyl)phenyl]-2-hydroxy-4-[(3-pyrazin-2-yl-1H-pyrazole-5-carbonyl)amino]pentanoic acid
CID 67974562
5-[4-(3-chlorophenyl)phenyl]-2-hydroxy-4-[(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)amino]pentanoic acid
CID 67973809
(2R,4R)-4-[(3-acetyl-1H-pyrazole-5-carbonyl)amino]-2-hydroxy-5-(4-phenylphenyl)pentanoic acid
CID 67969619
(2R,4R)-2-hydroxy-4-[[3-(2-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-5-(4-phenylphenyl)pentanoic acid
CID 67969724
(2R)-4-[[3-(ethoxycarbonylamino)-1H-pyrazole-5-carbonyl]amino]-2-hydroxy-5-(4-phenylphenyl)pentanoic acid
CID 67969618
5-(2-chloro-4-phenylphenyl)-2-hydroxy-4-[(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)amino]pentanoic acid
CID 67973878
(2R,4R)-4-[[5-(dimethylcarbamoyl)-1H-pyrazole-3-carbonyl]amino]-2-hydroxy-5-(4-phenylphenyl)pentanoic acid
CID 67970051
(2R,4R)-2-hydroxy-4-[[5-(hydroxymethyl)-1H-pyrazole-3-carbonyl]amino]-5-(4-phenylphenyl)pentanoic acid
CID 67969965
N-[(2R,4R)-1-[4-(3-chlorophenyl)phenyl]-4-hydroxypentan-2-yl]-3-pyridin-3-yl-1H-pyrazole-5-carboxamide
CID 151685582
5-[[(4R)-4-carboxy-4-hydroxy-1-(4-phenylphenyl)butan-2-yl]carbamoyl]furan-2-carboxylic acid
CID 67977223
(2R,4R)-2-hydroxy-4-[[5-(3-methoxypropylcarbamoyl)-1H-pyrazole-3-carbonyl]amino]-5-(4-phenylphenyl)pentanoic acid
CID 67969702
6-[[(4R)-4-carboxy-4-hydroxy-1-(4-phenylphenyl)butan-2-yl]carbamoyl]pyridazine-3-carboxylic acid
CID 67977221

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-(4-phenylphenyl)-4-[(3-pyrazin-2-yl-1H-pyrazole-5-carbonyl)amino]pentanoic acid?
The IUPAC name of 2-hydroxy-5-(4-phenylphenyl)-4-[(3-pyrazin-2-yl-1H-pyrazole-5-carbonyl)amino]pentanoic acid (CID 67969795) is 2-hydroxy-5-(4-phenylphenyl)-4-[(3-pyrazin-2-yl-1H-pyrazole-5-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 2-hydroxy-5-(4-phenylphenyl)-4-[(3-pyrazin-2-yl-1H-pyrazole-5-carbonyl)amino]pentanoic acid?
The canonical SMILES for 2-hydroxy-5-(4-phenylphenyl)-4-[(3-pyrazin-2-yl-1H-pyrazole-5-carbonyl)amino]pentanoic acid is O=C(NC(Cc1ccc(-c2ccccc2)cc1)CC(O)C(=O)O)c1cc(-c2cnccn2)n[nH]1.
What is the InChIKey of 2-hydroxy-5-(4-phenylphenyl)-4-[(3-pyrazin-2-yl-1H-pyrazole-5-carbonyl)amino]pentanoic acid?
The InChIKey is PIPIRKUSVIBCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O4/c31-23(25(33)34)13-19(12-16-6-8-18(9-7-16)17-4-2-1-3-5-17)28-24(32)21-14-20(29-30-21)22-15-26-10-11-27-22/h1-11,14-15,19,23,31H,12-13H2,(H,28,32)(H,29,30)(H,33,34).
What are the key properties of 2-hydroxy-5-(4-phenylphenyl)-4-[(3-pyrazin-2-yl-1H-pyrazole-5-carbonyl)amino]pentanoic acid?
2-hydroxy-5-(4-phenylphenyl)-4-[(3-pyrazin-2-yl-1H-pyrazole-5-carbonyl)amino]pentanoic acid has a molecular weight of 457.49 g/mol, XLogP of 2.71, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-(4-phenylphenyl)-4-[(3-pyrazin-2-yl-1H-pyrazole-5-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 67969795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).