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

C25H22ClN5O4 — CID 67974562

IUPAC5-[4-(3-chlorophenyl)phenyl]-2-hydroxy-4-[(3-pyrazin-2-yl-1H-pyrazole-5-carbonyl)amino]pentanoic acid
SMILESO=C(NC(Cc1ccc(-c2cccc(Cl)c2)cc1)CC(O)C(=O)O)c1cc(-c2cnccn2)n[nH]1
InChIInChI=1S/C25H22ClN5O4/c26-18-3-1-2-17(11-18)16-6-4-15(5-7-16)10-19(12-23(32)25(34)35)29-24(33)21-13-20(30-31-21)22-14-27-8-9-28-22/h1-9,11,13-14,19,23,32H,10,12H2,(H,29,33)(H,30,31)(H,34,35)
InChIKeyLFAUDWLNOCSZCU-UHFFFAOYSA-N
MW491.94 g/mol
LogP3.36
Rot. Bonds9

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

5-[4-(3-chlorophenyl)phenyl]-2-hydroxy-4-[(3-pyrazin-2-yl-1H-pyrazole-5-carbonyl)amino]pentanoic acid (PubChem CID 67974562) has the molecular formula C25H22ClN5O4 and a molecular weight of 491.94 g/mol. Its IUPAC name is 5-[4-(3-chlorophenyl)phenyl]-2-hydroxy-4-[(3-pyrazin-2-yl-1H-pyrazole-5-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name5-[4-(3-chlorophenyl)phenyl]-2-hydroxy-4-[(3-pyrazin-2-yl-1H-pyrazole-5-carbonyl)amino]pentanoic acid
PubChem CID67974562
Molecular FormulaC25H22ClN5O4
Molecular Weight491.94 g/mol
Exact Mass491.14
IUPAC Name5-[4-(3-chlorophenyl)phenyl]-2-hydroxy-4-[(3-pyrazin-2-yl-1H-pyrazole-5-carbonyl)amino]pentanoic acid
SMILESO=C(NC(Cc1ccc(-c2cccc(Cl)c2)cc1)CC(O)C(=O)O)c1cc(-c2cnccn2)n[nH]1
InChIInChI=1S/C25H22ClN5O4/c26-18-3-1-2-17(11-18)16-6-4-15(5-7-16)10-19(12-23(32)25(34)35)29-24(33)21-13-20(30-31-21)22-14-27-8-9-28-22/h1-9,11,13-14,19,23,32H,10,12H2,(H,29,33)(H,30,31)(H,34,35)
InChIKeyLFAUDWLNOCSZCU-UHFFFAOYSA-N
XLogP3.36
TPSA141.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.94
LogP ≤ 53.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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

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Related Compounds

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-pyridin-2-yl-1H-pyrazole-5-carbonyl)amino]pentanoic acid
CID 67973809
N-[(2R,4R)-1-[4-(3-chlorophenyl)phenyl]-4-hydroxypentan-2-yl]-3-pyridin-3-yl-1H-pyrazole-5-carboxamide
CID 151685582
5-(2-chloro-4-phenylphenyl)-2-hydroxy-4-[(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)amino]pentanoic acid
CID 67973878
(2R,4R)-5-[4-(3-chlorophenyl)phenyl]-2-hydroxy-4-[[2-oxo-2-(pyridin-4-ylamino)acetyl]amino]pentanoic acid
CID 90386915
(2R,4R)-4-[(3-acetyl-1H-pyrazole-5-carbonyl)amino]-2-hydroxy-5-(4-phenylphenyl)pentanoic acid
CID 67969619
3-[[(2S,4S)-4-carboxy-1-[4-(3-chlorophenyl)phenyl]pentan-2-yl]carbamoyl]-1H-pyrazole-5-carboxylic acid
CID 59608211
(2R,4R)-2-hydroxy-4-[[3-(2-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-5-(4-phenylphenyl)pentanoic acid
CID 67969724
(2R,4R)-5-[4-(3-chlorophenyl)phenyl]-4-[(2-ethoxyacetyl)amino]-2-hydroxypentanoic acid
CID 90387048
(2R,4R)-5-[4-(3-chlorophenyl)phenyl]-2-hydroxy-4-[(2-oxo-3-phenylpropanoyl)amino]pentanoic acid
CID 78324883
(2R,4R)-5-[4-(3-chlorophenyl)phenyl]-2-hydroxy-4-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]pentanoic acid
CID 67969790
(2R)-4-[[3-(ethoxycarbonylamino)-1H-pyrazole-5-carbonyl]amino]-2-hydroxy-5-(4-phenylphenyl)pentanoic acid
CID 67969618

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-chlorophenyl)phenyl]-2-hydroxy-4-[(3-pyrazin-2-yl-1H-pyrazole-5-carbonyl)amino]pentanoic acid?
The IUPAC name of 5-[4-(3-chlorophenyl)phenyl]-2-hydroxy-4-[(3-pyrazin-2-yl-1H-pyrazole-5-carbonyl)amino]pentanoic acid (CID 67974562) is 5-[4-(3-chlorophenyl)phenyl]-2-hydroxy-4-[(3-pyrazin-2-yl-1H-pyrazole-5-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 5-[4-(3-chlorophenyl)phenyl]-2-hydroxy-4-[(3-pyrazin-2-yl-1H-pyrazole-5-carbonyl)amino]pentanoic acid?
The canonical SMILES for 5-[4-(3-chlorophenyl)phenyl]-2-hydroxy-4-[(3-pyrazin-2-yl-1H-pyrazole-5-carbonyl)amino]pentanoic acid is O=C(NC(Cc1ccc(-c2cccc(Cl)c2)cc1)CC(O)C(=O)O)c1cc(-c2cnccn2)n[nH]1.
What is the InChIKey of 5-[4-(3-chlorophenyl)phenyl]-2-hydroxy-4-[(3-pyrazin-2-yl-1H-pyrazole-5-carbonyl)amino]pentanoic acid?
The InChIKey is LFAUDWLNOCSZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN5O4/c26-18-3-1-2-17(11-18)16-6-4-15(5-7-16)10-19(12-23(32)25(34)35)29-24(33)21-13-20(30-31-21)22-14-27-8-9-28-22/h1-9,11,13-14,19,23,32H,10,12H2,(H,29,33)(H,30,31)(H,34,35).
What are the key properties of 5-[4-(3-chlorophenyl)phenyl]-2-hydroxy-4-[(3-pyrazin-2-yl-1H-pyrazole-5-carbonyl)amino]pentanoic acid?
5-[4-(3-chlorophenyl)phenyl]-2-hydroxy-4-[(3-pyrazin-2-yl-1H-pyrazole-5-carbonyl)amino]pentanoic acid has a molecular weight of 491.94 g/mol, XLogP of 3.36, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-chlorophenyl)phenyl]-2-hydroxy-4-[(3-pyrazin-2-yl-1H-pyrazole-5-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 67974562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).