2-[[7-(4-chlorophenyl)imidazo[1,2-a]pyridine-2-carbonyl]-methylamino]-3-(4-phenylmethoxyphenyl)propanoic acid

C31H26ClN3O4 — CID 59335656

IUPAC2-[[7-(4-chlorophenyl)imidazo[1,2-a]pyridine-2-carbonyl]-methylamino]-3-(4-phenylmethoxyphenyl)propanoic acid
SMILESCN(C(=O)c1cn2ccc(-c3ccc(Cl)cc3)cc2n1)C(Cc1ccc(OCc2ccccc2)cc1)C(=O)O
InChIInChI=1S/C31H26ClN3O4/c1-34(28(31(37)38)17-21-7-13-26(14-8-21)39-20-22-5-3-2-4-6-22)30(36)27-19-35-16-15-24(18-29(35)33-27)23-9-11-25(32)12-10-23/h2-16,18-19,28H,17,20H2,1H3,(H,37,38)
InChIKeyXUGNBLRFDYSRMX-UHFFFAOYSA-N
MW540.02 g/mol
LogP6.00
Rot. Bonds9

About 2-[[7-(4-chlorophenyl)imidazo[1,2-a]pyridine-2-carbonyl]-methylamino]-3-(4-phenylmethoxyphenyl)propanoic acid

2-[[7-(4-chlorophenyl)imidazo[1,2-a]pyridine-2-carbonyl]-methylamino]-3-(4-phenylmethoxyphenyl)propanoic acid (PubChem CID 59335656) has the molecular formula C31H26ClN3O4 and a molecular weight of 540.02 g/mol. Its IUPAC name is 2-[[7-(4-chlorophenyl)imidazo[1,2-a]pyridine-2-carbonyl]-methylamino]-3-(4-phenylmethoxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-[[7-(4-chlorophenyl)imidazo[1,2-a]pyridine-2-carbonyl]-methylamino]-3-(4-phenylmethoxyphenyl)propanoic acid
PubChem CID59335656
Molecular FormulaC31H26ClN3O4
Molecular Weight540.02 g/mol
Exact Mass539.16
IUPAC Name2-[[7-(4-chlorophenyl)imidazo[1,2-a]pyridine-2-carbonyl]-methylamino]-3-(4-phenylmethoxyphenyl)propanoic acid
SMILESCN(C(=O)c1cn2ccc(-c3ccc(Cl)cc3)cc2n1)C(Cc1ccc(OCc2ccccc2)cc1)C(=O)O
InChIInChI=1S/C31H26ClN3O4/c1-34(28(31(37)38)17-21-7-13-26(14-8-21)39-20-22-5-3-2-4-6-22)30(36)27-19-35-16-15-24(18-29(35)33-27)23-9-11-25(32)12-10-23/h2-16,18-19,28H,17,20H2,1H3,(H,37,38)
InChIKeyXUGNBLRFDYSRMX-UHFFFAOYSA-N
XLogP6.00
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.02
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[7-(4-chlorophenyl)imidazo[1,2-a]pyridine-2-carbonyl]-methylamino]-3-(4-phenylmethoxyphenyl)propanoic 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 2-[[7-(4-chlorophenyl)imidazo[1,2-a]pyridine-2-carbonyl]-methylamino]-3-(4-phenylmethoxyphenyl)propanoic acid?
The IUPAC name of 2-[[7-(4-chlorophenyl)imidazo[1,2-a]pyridine-2-carbonyl]-methylamino]-3-(4-phenylmethoxyphenyl)propanoic acid (CID 59335656) is 2-[[7-(4-chlorophenyl)imidazo[1,2-a]pyridine-2-carbonyl]-methylamino]-3-(4-phenylmethoxyphenyl)propanoic acid.
What is the SMILES notation for 2-[[7-(4-chlorophenyl)imidazo[1,2-a]pyridine-2-carbonyl]-methylamino]-3-(4-phenylmethoxyphenyl)propanoic acid?
The canonical SMILES for 2-[[7-(4-chlorophenyl)imidazo[1,2-a]pyridine-2-carbonyl]-methylamino]-3-(4-phenylmethoxyphenyl)propanoic acid is CN(C(=O)c1cn2ccc(-c3ccc(Cl)cc3)cc2n1)C(Cc1ccc(OCc2ccccc2)cc1)C(=O)O.
What is the InChIKey of 2-[[7-(4-chlorophenyl)imidazo[1,2-a]pyridine-2-carbonyl]-methylamino]-3-(4-phenylmethoxyphenyl)propanoic acid?
The InChIKey is XUGNBLRFDYSRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26ClN3O4/c1-34(28(31(37)38)17-21-7-13-26(14-8-21)39-20-22-5-3-2-4-6-22)30(36)27-19-35-16-15-24(18-29(35)33-27)23-9-11-25(32)12-10-23/h2-16,18-19,28H,17,20H2,1H3,(H,37,38).
What are the key properties of 2-[[7-(4-chlorophenyl)imidazo[1,2-a]pyridine-2-carbonyl]-methylamino]-3-(4-phenylmethoxyphenyl)propanoic acid?
2-[[7-(4-chlorophenyl)imidazo[1,2-a]pyridine-2-carbonyl]-methylamino]-3-(4-phenylmethoxyphenyl)propanoic acid has a molecular weight of 540.02 g/mol, XLogP of 6.00, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-(4-chlorophenyl)imidazo[1,2-a]pyridine-2-carbonyl]-methylamino]-3-(4-phenylmethoxyphenyl)propanoic acid is sourced from PubChem (CID 59335656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).