2-[[6-(4-chlorophenyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]-3-(4-phenylmethoxyphenyl)propanoic acid

C30H24ClN3O4 — CID 59335661

IUPAC2-[[6-(4-chlorophenyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]-3-(4-phenylmethoxyphenyl)propanoic acid
SMILESO=C(NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)O)c1cn2cc(-c3ccc(Cl)cc3)ccc2n1
InChIInChI=1S/C30H24ClN3O4/c31-24-11-8-22(9-12-24)23-10-15-28-32-27(18-34(28)17-23)29(35)33-26(30(36)37)16-20-6-13-25(14-7-20)38-19-21-4-2-1-3-5-21/h1-15,17-18,26H,16,19H2,(H,33,35)(H,36,37)
InChIKeyJDHGPHTWAFKTRA-UHFFFAOYSA-N
MW525.99 g/mol
LogP5.66
Rot. Bonds9

About 2-[[6-(4-chlorophenyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]-3-(4-phenylmethoxyphenyl)propanoic acid

2-[[6-(4-chlorophenyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]-3-(4-phenylmethoxyphenyl)propanoic acid (PubChem CID 59335661) has the molecular formula C30H24ClN3O4 and a molecular weight of 525.99 g/mol. Its IUPAC name is 2-[[6-(4-chlorophenyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]-3-(4-phenylmethoxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-[[6-(4-chlorophenyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]-3-(4-phenylmethoxyphenyl)propanoic acid
PubChem CID59335661
Molecular FormulaC30H24ClN3O4
Molecular Weight525.99 g/mol
Exact Mass525.15
IUPAC Name2-[[6-(4-chlorophenyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]-3-(4-phenylmethoxyphenyl)propanoic acid
SMILESO=C(NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)O)c1cn2cc(-c3ccc(Cl)cc3)ccc2n1
InChIInChI=1S/C30H24ClN3O4/c31-24-11-8-22(9-12-24)23-10-15-28-32-27(18-34(28)17-23)29(35)33-26(30(36)37)16-20-6-13-25(14-7-20)38-19-21-4-2-1-3-5-21/h1-15,17-18,26H,16,19H2,(H,33,35)(H,36,37)
InChIKeyJDHGPHTWAFKTRA-UHFFFAOYSA-N
XLogP5.66
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.99
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-(4-chlorophenyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]-3-(4-phenylmethoxyphenyl)propanoic acid?
The IUPAC name of 2-[[6-(4-chlorophenyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]-3-(4-phenylmethoxyphenyl)propanoic acid (CID 59335661) is 2-[[6-(4-chlorophenyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]-3-(4-phenylmethoxyphenyl)propanoic acid.
What is the SMILES notation for 2-[[6-(4-chlorophenyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]-3-(4-phenylmethoxyphenyl)propanoic acid?
The canonical SMILES for 2-[[6-(4-chlorophenyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]-3-(4-phenylmethoxyphenyl)propanoic acid is O=C(NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)O)c1cn2cc(-c3ccc(Cl)cc3)ccc2n1.
What is the InChIKey of 2-[[6-(4-chlorophenyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]-3-(4-phenylmethoxyphenyl)propanoic acid?
The InChIKey is JDHGPHTWAFKTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24ClN3O4/c31-24-11-8-22(9-12-24)23-10-15-28-32-27(18-34(28)17-23)29(35)33-26(30(36)37)16-20-6-13-25(14-7-20)38-19-21-4-2-1-3-5-21/h1-15,17-18,26H,16,19H2,(H,33,35)(H,36,37).
What are the key properties of 2-[[6-(4-chlorophenyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]-3-(4-phenylmethoxyphenyl)propanoic acid?
2-[[6-(4-chlorophenyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]-3-(4-phenylmethoxyphenyl)propanoic acid has a molecular weight of 525.99 g/mol, XLogP of 5.66, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(4-chlorophenyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]-3-(4-phenylmethoxyphenyl)propanoic acid is sourced from PubChem (CID 59335661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).