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

C26H23ClN4O4 — CID 67973878

IUPAC5-(2-chloro-4-phenylphenyl)-2-hydroxy-4-[(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)amino]pentanoic acid
SMILESO=C(NC(Cc1ccc(-c2ccccc2)cc1Cl)CC(O)C(=O)O)c1cc(-c2ccccn2)n[nH]1
InChIInChI=1S/C26H23ClN4O4/c27-20-13-17(16-6-2-1-3-7-16)9-10-18(20)12-19(14-24(32)26(34)35)29-25(33)23-15-22(30-31-23)21-8-4-5-11-28-21/h1-11,13,15,19,24,32H,12,14H2,(H,29,33)(H,30,31)(H,34,35)
InChIKeyNVVQXSBJDCHOMA-UHFFFAOYSA-N
MW490.95 g/mol
LogP3.97
Rot. Bonds9

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

5-(2-chloro-4-phenylphenyl)-2-hydroxy-4-[(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)amino]pentanoic acid (PubChem CID 67973878) has the molecular formula C26H23ClN4O4 and a molecular weight of 490.95 g/mol. Its IUPAC name is 5-(2-chloro-4-phenylphenyl)-2-hydroxy-4-[(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name5-(2-chloro-4-phenylphenyl)-2-hydroxy-4-[(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)amino]pentanoic acid
PubChem CID67973878
Molecular FormulaC26H23ClN4O4
Molecular Weight490.95 g/mol
Exact Mass490.14
IUPAC Name5-(2-chloro-4-phenylphenyl)-2-hydroxy-4-[(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)amino]pentanoic acid
SMILESO=C(NC(Cc1ccc(-c2ccccc2)cc1Cl)CC(O)C(=O)O)c1cc(-c2ccccn2)n[nH]1
InChIInChI=1S/C26H23ClN4O4/c27-20-13-17(16-6-2-1-3-7-16)9-10-18(20)12-19(14-24(32)26(34)35)29-25(33)23-15-22(30-31-23)21-8-4-5-11-28-21/h1-11,13,15,19,24,32H,12,14H2,(H,29,33)(H,30,31)(H,34,35)
InChIKeyNVVQXSBJDCHOMA-UHFFFAOYSA-N
XLogP3.97
TPSA128.20 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.95
LogP ≤ 53.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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

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Related Compounds

5-[4-(3-chlorophenyl)phenyl]-2-hydroxy-4-[(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)amino]pentanoic acid
CID 67973809
2-hydroxy-5-(4-phenylphenyl)-4-[(3-pyrazin-2-yl-1H-pyrazole-5-carbonyl)amino]pentanoic acid
CID 67969795
5-[4-(3-chlorophenyl)phenyl]-2-hydroxy-4-[(3-pyrazin-2-yl-1H-pyrazole-5-carbonyl)amino]pentanoic acid
CID 67974562
(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,4R)-5-(2-chloro-4-phenylphenyl)-2-hydroxy-4-[(5-pyridin-3-ylpyrazolidine-3-carbonyl)amino]pentanoic acid
CID 155903493
(2R)-4-[[3-(ethoxycarbonylamino)-1H-pyrazole-5-carbonyl]amino]-2-hydroxy-5-(4-phenylphenyl)pentanoic acid
CID 67969618
(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
N-benzyl-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 46352032
(2R,4R)-2-hydroxy-4-[[5-(3-methoxypropylcarbamoyl)-1H-pyrazole-3-carbonyl]amino]-5-(4-phenylphenyl)pentanoic acid
CID 67969702

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-4-phenylphenyl)-2-hydroxy-4-[(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)amino]pentanoic acid?
The IUPAC name of 5-(2-chloro-4-phenylphenyl)-2-hydroxy-4-[(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)amino]pentanoic acid (CID 67973878) is 5-(2-chloro-4-phenylphenyl)-2-hydroxy-4-[(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 5-(2-chloro-4-phenylphenyl)-2-hydroxy-4-[(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)amino]pentanoic acid?
The canonical SMILES for 5-(2-chloro-4-phenylphenyl)-2-hydroxy-4-[(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)amino]pentanoic acid is O=C(NC(Cc1ccc(-c2ccccc2)cc1Cl)CC(O)C(=O)O)c1cc(-c2ccccn2)n[nH]1.
What is the InChIKey of 5-(2-chloro-4-phenylphenyl)-2-hydroxy-4-[(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)amino]pentanoic acid?
The InChIKey is NVVQXSBJDCHOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN4O4/c27-20-13-17(16-6-2-1-3-7-16)9-10-18(20)12-19(14-24(32)26(34)35)29-25(33)23-15-22(30-31-23)21-8-4-5-11-28-21/h1-11,13,15,19,24,32H,12,14H2,(H,29,33)(H,30,31)(H,34,35).
What are the key properties of 5-(2-chloro-4-phenylphenyl)-2-hydroxy-4-[(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)amino]pentanoic acid?
5-(2-chloro-4-phenylphenyl)-2-hydroxy-4-[(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)amino]pentanoic acid has a molecular weight of 490.95 g/mol, XLogP of 3.97, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-4-phenylphenyl)-2-hydroxy-4-[(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 67973878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).