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

C30H23Cl2N3O4 — CID 59335907

IUPAC2-[[3-chloro-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)c1nc2ccc(-c3ccc(Cl)cc3)cn2c1Cl
InChIInChI=1S/C30H23Cl2N3O4/c31-23-11-8-21(9-12-23)22-10-15-26-34-27(28(32)35(26)17-22)29(36)33-25(30(37)38)16-19-6-13-24(14-7-19)39-18-20-4-2-1-3-5-20/h1-15,17,25H,16,18H2,(H,33,36)(H,37,38)
InChIKeyWTFGOZAIRGFZIW-UHFFFAOYSA-N
MW560.44 g/mol
LogP6.31
Rot. Bonds9

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

2-[[3-chloro-6-(4-chlorophenyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]-3-(4-phenylmethoxyphenyl)propanoic acid (PubChem CID 59335907) has the molecular formula C30H23Cl2N3O4 and a molecular weight of 560.44 g/mol. Its IUPAC name is 2-[[3-chloro-6-(4-chlorophenyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]-3-(4-phenylmethoxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-[[3-chloro-6-(4-chlorophenyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]-3-(4-phenylmethoxyphenyl)propanoic acid
PubChem CID59335907
Molecular FormulaC30H23Cl2N3O4
Molecular Weight560.44 g/mol
Exact Mass559.11
IUPAC Name2-[[3-chloro-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)c1nc2ccc(-c3ccc(Cl)cc3)cn2c1Cl
InChIInChI=1S/C30H23Cl2N3O4/c31-23-11-8-21(9-12-23)22-10-15-26-34-27(28(32)35(26)17-22)29(36)33-25(30(37)38)16-19-6-13-24(14-7-19)39-18-20-4-2-1-3-5-20/h1-15,17,25H,16,18H2,(H,33,36)(H,37,38)
InChIKeyWTFGOZAIRGFZIW-UHFFFAOYSA-N
XLogP6.31
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.44
LogP ≤ 56.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-chloro-6-(4-chlorophenyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]-3-(4-phenylmethoxyphenyl)propanoic acid?
The IUPAC name of 2-[[3-chloro-6-(4-chlorophenyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]-3-(4-phenylmethoxyphenyl)propanoic acid (CID 59335907) is 2-[[3-chloro-6-(4-chlorophenyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]-3-(4-phenylmethoxyphenyl)propanoic acid.
What is the SMILES notation for 2-[[3-chloro-6-(4-chlorophenyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]-3-(4-phenylmethoxyphenyl)propanoic acid?
The canonical SMILES for 2-[[3-chloro-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)c1nc2ccc(-c3ccc(Cl)cc3)cn2c1Cl.
What is the InChIKey of 2-[[3-chloro-6-(4-chlorophenyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]-3-(4-phenylmethoxyphenyl)propanoic acid?
The InChIKey is WTFGOZAIRGFZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23Cl2N3O4/c31-23-11-8-21(9-12-23)22-10-15-26-34-27(28(32)35(26)17-22)29(36)33-25(30(37)38)16-19-6-13-24(14-7-19)39-18-20-4-2-1-3-5-20/h1-15,17,25H,16,18H2,(H,33,36)(H,37,38).
What are the key properties of 2-[[3-chloro-6-(4-chlorophenyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]-3-(4-phenylmethoxyphenyl)propanoic acid?
2-[[3-chloro-6-(4-chlorophenyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]-3-(4-phenylmethoxyphenyl)propanoic acid has a molecular weight of 560.44 g/mol, XLogP of 6.31, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-chloro-6-(4-chlorophenyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]-3-(4-phenylmethoxyphenyl)propanoic acid is sourced from PubChem (CID 59335907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).