4-[4-[2-(3,4-dimethoxyphenyl)-8-methylimidazo[1,2-a]pyridin-6-yl]phenyl]piperazine-1-carboxylic acid

C27H28N4O4 — CID 175411485

IUPAC4-[4-[2-(3,4-dimethoxyphenyl)-8-methylimidazo[1,2-a]pyridin-6-yl]phenyl]piperazine-1-carboxylic acid
SMILESCOc1ccc(-c2cn3cc(-c4ccc(N5CCN(C(=O)O)CC5)cc4)cc(C)c3n2)cc1OC
InChIInChI=1S/C27H28N4O4/c1-18-14-21(19-4-7-22(8-5-19)29-10-12-30(13-11-29)27(32)33)16-31-17-23(28-26(18)31)20-6-9-24(34-2)25(15-20)35-3/h4-9,14-17H,10-13H2,1-3H3,(H,32,33)
InChIKeyLYQRORMHPIWRIU-UHFFFAOYSA-N
MW472.55 g/mol
LogP4.79
Rot. Bonds5

About 4-[4-[2-(3,4-dimethoxyphenyl)-8-methylimidazo[1,2-a]pyridin-6-yl]phenyl]piperazine-1-carboxylic acid

4-[4-[2-(3,4-dimethoxyphenyl)-8-methylimidazo[1,2-a]pyridin-6-yl]phenyl]piperazine-1-carboxylic acid (PubChem CID 175411485) has the molecular formula C27H28N4O4 and a molecular weight of 472.55 g/mol. Its IUPAC name is 4-[4-[2-(3,4-dimethoxyphenyl)-8-methylimidazo[1,2-a]pyridin-6-yl]phenyl]piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-[4-[2-(3,4-dimethoxyphenyl)-8-methylimidazo[1,2-a]pyridin-6-yl]phenyl]piperazine-1-carboxylic acid
PubChem CID175411485
Molecular FormulaC27H28N4O4
Molecular Weight472.55 g/mol
Exact Mass472.21
IUPAC Name4-[4-[2-(3,4-dimethoxyphenyl)-8-methylimidazo[1,2-a]pyridin-6-yl]phenyl]piperazine-1-carboxylic acid
SMILESCOc1ccc(-c2cn3cc(-c4ccc(N5CCN(C(=O)O)CC5)cc4)cc(C)c3n2)cc1OC
InChIInChI=1S/C27H28N4O4/c1-18-14-21(19-4-7-22(8-5-19)29-10-12-30(13-11-29)27(32)33)16-31-17-23(28-26(18)31)20-6-9-24(34-2)25(15-20)35-3/h4-9,14-17H,10-13H2,1-3H3,(H,32,33)
InChIKeyLYQRORMHPIWRIU-UHFFFAOYSA-N
XLogP4.79
TPSA79.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.55
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[4-[2-(3,4-dimethoxyphenyl)-8-methylimidazo[1,2-a]pyridin-6-yl]phenyl]piperazine-1-carboxylic 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 4-[4-[2-(3,4-dimethoxyphenyl)-8-methylimidazo[1,2-a]pyridin-6-yl]phenyl]piperazine-1-carboxylic acid?
The IUPAC name of 4-[4-[2-(3,4-dimethoxyphenyl)-8-methylimidazo[1,2-a]pyridin-6-yl]phenyl]piperazine-1-carboxylic acid (CID 175411485) is 4-[4-[2-(3,4-dimethoxyphenyl)-8-methylimidazo[1,2-a]pyridin-6-yl]phenyl]piperazine-1-carboxylic acid.
What is the SMILES notation for 4-[4-[2-(3,4-dimethoxyphenyl)-8-methylimidazo[1,2-a]pyridin-6-yl]phenyl]piperazine-1-carboxylic acid?
The canonical SMILES for 4-[4-[2-(3,4-dimethoxyphenyl)-8-methylimidazo[1,2-a]pyridin-6-yl]phenyl]piperazine-1-carboxylic acid is COc1ccc(-c2cn3cc(-c4ccc(N5CCN(C(=O)O)CC5)cc4)cc(C)c3n2)cc1OC.
What is the InChIKey of 4-[4-[2-(3,4-dimethoxyphenyl)-8-methylimidazo[1,2-a]pyridin-6-yl]phenyl]piperazine-1-carboxylic acid?
The InChIKey is LYQRORMHPIWRIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O4/c1-18-14-21(19-4-7-22(8-5-19)29-10-12-30(13-11-29)27(32)33)16-31-17-23(28-26(18)31)20-6-9-24(34-2)25(15-20)35-3/h4-9,14-17H,10-13H2,1-3H3,(H,32,33).
What are the key properties of 4-[4-[2-(3,4-dimethoxyphenyl)-8-methylimidazo[1,2-a]pyridin-6-yl]phenyl]piperazine-1-carboxylic acid?
4-[4-[2-(3,4-dimethoxyphenyl)-8-methylimidazo[1,2-a]pyridin-6-yl]phenyl]piperazine-1-carboxylic acid has a molecular weight of 472.55 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(3,4-dimethoxyphenyl)-8-methylimidazo[1,2-a]pyridin-6-yl]phenyl]piperazine-1-carboxylic acid is sourced from PubChem (CID 175411485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).