(2R,4R)-2-amino-5-[4-(5-chloro-2-fluorophenyl)phenyl]-4-[(7-chloro-[1,2,4]triazolo[1,5-a]pyridine-2-carbonyl)amino]pentanoic acid

C24H20Cl2FN5O3 — CID 118252366

IUPAC(2R,4R)-2-amino-5-[4-(5-chloro-2-fluorophenyl)phenyl]-4-[(7-chloro-[1,2,4]triazolo[1,5-a]pyridine-2-carbonyl)amino]pentanoic acid
SMILESN[C@H](C[C@@H](Cc1ccc(-c2cc(Cl)ccc2F)cc1)NC(=O)c1nc2cc(Cl)ccn2n1)C(=O)O
InChIInChI=1S/C24H20Cl2FN5O3/c25-15-5-6-19(27)18(10-15)14-3-1-13(2-4-14)9-17(12-20(28)24(34)35)29-23(33)22-30-21-11-16(26)7-8-32(21)31-22/h1-8,10-11,17,20H,9,12,28H2,(H,29,33)(H,34,35)/t17-,20-/m1/s1
InChIKeyKRZJZRLBSHPMQU-YLJYHZDGSA-N
MW516.36 g/mol
LogP3.99
Rot. Bonds8

About (2R,4R)-2-amino-5-[4-(5-chloro-2-fluorophenyl)phenyl]-4-[(7-chloro-[1,2,4]triazolo[1,5-a]pyridine-2-carbonyl)amino]pentanoic acid

(2R,4R)-2-amino-5-[4-(5-chloro-2-fluorophenyl)phenyl]-4-[(7-chloro-[1,2,4]triazolo[1,5-a]pyridine-2-carbonyl)amino]pentanoic acid (PubChem CID 118252366) has the molecular formula C24H20Cl2FN5O3 and a molecular weight of 516.36 g/mol. Its IUPAC name is (2R,4R)-2-amino-5-[4-(5-chloro-2-fluorophenyl)phenyl]-4-[(7-chloro-[1,2,4]triazolo[1,5-a]pyridine-2-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2R,4R)-2-amino-5-[4-(5-chloro-2-fluorophenyl)phenyl]-4-[(7-chloro-[1,2,4]triazolo[1,5-a]pyridine-2-carbonyl)amino]pentanoic acid
PubChem CID118252366
Molecular FormulaC24H20Cl2FN5O3
Molecular Weight516.36 g/mol
Exact Mass515.09
IUPAC Name(2R,4R)-2-amino-5-[4-(5-chloro-2-fluorophenyl)phenyl]-4-[(7-chloro-[1,2,4]triazolo[1,5-a]pyridine-2-carbonyl)amino]pentanoic acid
SMILESN[C@H](C[C@@H](Cc1ccc(-c2cc(Cl)ccc2F)cc1)NC(=O)c1nc2cc(Cl)ccn2n1)C(=O)O
InChIInChI=1S/C24H20Cl2FN5O3/c25-15-5-6-19(27)18(10-15)14-3-1-13(2-4-14)9-17(12-20(28)24(34)35)29-23(33)22-30-21-11-16(26)7-8-32(21)31-22/h1-8,10-11,17,20H,9,12,28H2,(H,29,33)(H,34,35)/t17-,20-/m1/s1
InChIKeyKRZJZRLBSHPMQU-YLJYHZDGSA-N
XLogP3.99
TPSA122.61 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.36
LogP ≤ 53.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2R,4R)-2-amino-5-[4-(5-chloro-2-fluorophenyl)phenyl]-4-[(7-chloro-[1,2,4]triazolo[1,5-a]pyridine-2-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

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2-amino-5-[4-(5-chloro-2-fluorophenyl)phenyl]-4-[(7-chloro-[1,2,4]triazolo[1,5-a]pyridine-2-carbonyl)amino]pentanoic acid?
The IUPAC name of (2R,4R)-2-amino-5-[4-(5-chloro-2-fluorophenyl)phenyl]-4-[(7-chloro-[1,2,4]triazolo[1,5-a]pyridine-2-carbonyl)amino]pentanoic acid (CID 118252366) is (2R,4R)-2-amino-5-[4-(5-chloro-2-fluorophenyl)phenyl]-4-[(7-chloro-[1,2,4]triazolo[1,5-a]pyridine-2-carbonyl)amino]pentanoic acid.
What is the SMILES notation for (2R,4R)-2-amino-5-[4-(5-chloro-2-fluorophenyl)phenyl]-4-[(7-chloro-[1,2,4]triazolo[1,5-a]pyridine-2-carbonyl)amino]pentanoic acid?
The canonical SMILES for (2R,4R)-2-amino-5-[4-(5-chloro-2-fluorophenyl)phenyl]-4-[(7-chloro-[1,2,4]triazolo[1,5-a]pyridine-2-carbonyl)amino]pentanoic acid is N[C@H](C[C@@H](Cc1ccc(-c2cc(Cl)ccc2F)cc1)NC(=O)c1nc2cc(Cl)ccn2n1)C(=O)O.
What is the InChIKey of (2R,4R)-2-amino-5-[4-(5-chloro-2-fluorophenyl)phenyl]-4-[(7-chloro-[1,2,4]triazolo[1,5-a]pyridine-2-carbonyl)amino]pentanoic acid?
The InChIKey is KRZJZRLBSHPMQU-YLJYHZDGSA-N. The full InChI is InChI=1S/C24H20Cl2FN5O3/c25-15-5-6-19(27)18(10-15)14-3-1-13(2-4-14)9-17(12-20(28)24(34)35)29-23(33)22-30-21-11-16(26)7-8-32(21)31-22/h1-8,10-11,17,20H,9,12,28H2,(H,29,33)(H,34,35)/t17-,20-/m1/s1.
What are the key properties of (2R,4R)-2-amino-5-[4-(5-chloro-2-fluorophenyl)phenyl]-4-[(7-chloro-[1,2,4]triazolo[1,5-a]pyridine-2-carbonyl)amino]pentanoic acid?
(2R,4R)-2-amino-5-[4-(5-chloro-2-fluorophenyl)phenyl]-4-[(7-chloro-[1,2,4]triazolo[1,5-a]pyridine-2-carbonyl)amino]pentanoic acid has a molecular weight of 516.36 g/mol, XLogP of 3.99, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2-amino-5-[4-(5-chloro-2-fluorophenyl)phenyl]-4-[(7-chloro-[1,2,4]triazolo[1,5-a]pyridine-2-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 118252366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).