2-[4-[(2-ethyl-8-methylimidazo[1,2-a]pyridin-5-yl)-(phenylcarbamoyloxy)methyl]phenyl]benzoic acid

C31H27N3O4 — CID 19735736

IUPAC2-[4-[(2-ethyl-8-methylimidazo[1,2-a]pyridin-5-yl)-(phenylcarbamoyloxy)methyl]phenyl]benzoic acid
SMILESCCc1cn2c(C(OC(=O)Nc3ccccc3)c3ccc(-c4ccccc4C(=O)O)cc3)ccc(C)c2n1
InChIInChI=1S/C31H27N3O4/c1-3-23-19-34-27(18-13-20(2)29(34)32-23)28(38-31(37)33-24-9-5-4-6-10-24)22-16-14-21(15-17-22)25-11-7-8-12-26(25)30(35)36/h4-19,28H,3H2,1-2H3,(H,33,37)(H,35,36)
InChIKeyIWPIWWMYBOUYNZ-UHFFFAOYSA-N
MW505.57 g/mol
LogP6.91
Rot. Bonds7

About 2-[4-[(2-ethyl-8-methylimidazo[1,2-a]pyridin-5-yl)-(phenylcarbamoyloxy)methyl]phenyl]benzoic acid

2-[4-[(2-ethyl-8-methylimidazo[1,2-a]pyridin-5-yl)-(phenylcarbamoyloxy)methyl]phenyl]benzoic acid (PubChem CID 19735736) has the molecular formula C31H27N3O4 and a molecular weight of 505.57 g/mol. Its IUPAC name is 2-[4-[(2-ethyl-8-methylimidazo[1,2-a]pyridin-5-yl)-(phenylcarbamoyloxy)methyl]phenyl]benzoic acid.

Molecular Properties

Compound Name2-[4-[(2-ethyl-8-methylimidazo[1,2-a]pyridin-5-yl)-(phenylcarbamoyloxy)methyl]phenyl]benzoic acid
PubChem CID19735736
Molecular FormulaC31H27N3O4
Molecular Weight505.57 g/mol
Exact Mass505.20
IUPAC Name2-[4-[(2-ethyl-8-methylimidazo[1,2-a]pyridin-5-yl)-(phenylcarbamoyloxy)methyl]phenyl]benzoic acid
SMILESCCc1cn2c(C(OC(=O)Nc3ccccc3)c3ccc(-c4ccccc4C(=O)O)cc3)ccc(C)c2n1
InChIInChI=1S/C31H27N3O4/c1-3-23-19-34-27(18-13-20(2)29(34)32-23)28(38-31(37)33-24-9-5-4-6-10-24)22-16-14-21(15-17-22)25-11-7-8-12-26(25)30(35)36/h4-19,28H,3H2,1-2H3,(H,33,37)(H,35,36)
InChIKeyIWPIWWMYBOUYNZ-UHFFFAOYSA-N
XLogP6.91
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.57
LogP ≤ 56.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-[(2-ethyl-8-methylimidazo[1,2-a]pyridin-5-yl)-(phenylcarbamoyloxy)methyl]phenyl]benzoic 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-[4-[(2-ethyl-8-methylimidazo[1,2-a]pyridin-5-yl)-(phenylcarbamoyloxy)methyl]phenyl]benzoic acid?
The IUPAC name of 2-[4-[(2-ethyl-8-methylimidazo[1,2-a]pyridin-5-yl)-(phenylcarbamoyloxy)methyl]phenyl]benzoic acid (CID 19735736) is 2-[4-[(2-ethyl-8-methylimidazo[1,2-a]pyridin-5-yl)-(phenylcarbamoyloxy)methyl]phenyl]benzoic acid.
What is the SMILES notation for 2-[4-[(2-ethyl-8-methylimidazo[1,2-a]pyridin-5-yl)-(phenylcarbamoyloxy)methyl]phenyl]benzoic acid?
The canonical SMILES for 2-[4-[(2-ethyl-8-methylimidazo[1,2-a]pyridin-5-yl)-(phenylcarbamoyloxy)methyl]phenyl]benzoic acid is CCc1cn2c(C(OC(=O)Nc3ccccc3)c3ccc(-c4ccccc4C(=O)O)cc3)ccc(C)c2n1.
What is the InChIKey of 2-[4-[(2-ethyl-8-methylimidazo[1,2-a]pyridin-5-yl)-(phenylcarbamoyloxy)methyl]phenyl]benzoic acid?
The InChIKey is IWPIWWMYBOUYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27N3O4/c1-3-23-19-34-27(18-13-20(2)29(34)32-23)28(38-31(37)33-24-9-5-4-6-10-24)22-16-14-21(15-17-22)25-11-7-8-12-26(25)30(35)36/h4-19,28H,3H2,1-2H3,(H,33,37)(H,35,36).
What are the key properties of 2-[4-[(2-ethyl-8-methylimidazo[1,2-a]pyridin-5-yl)-(phenylcarbamoyloxy)methyl]phenyl]benzoic acid?
2-[4-[(2-ethyl-8-methylimidazo[1,2-a]pyridin-5-yl)-(phenylcarbamoyloxy)methyl]phenyl]benzoic acid has a molecular weight of 505.57 g/mol, XLogP of 6.91, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-ethyl-8-methylimidazo[1,2-a]pyridin-5-yl)-(phenylcarbamoyloxy)methyl]phenyl]benzoic acid is sourced from PubChem (CID 19735736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).