1-[4-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-phenylmethoxyethanone

C29H29N3O4 — CID 155533838

IUPAC1-[4-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-phenylmethoxyethanone
SMILESCOc1ccc(-c2cn3cc(C4=CCN(C(=O)COCc5ccccc5)CC4)ccc3n2)cc1OC
InChIInChI=1S/C29H29N3O4/c1-34-26-10-8-23(16-27(26)35-2)25-18-32-17-24(9-11-28(32)30-25)22-12-14-31(15-13-22)29(33)20-36-19-21-6-4-3-5-7-21/h3-12,16-18H,13-15,19-20H2,1-2H3
InChIKeyHLXUTTJUMLPCSB-UHFFFAOYSA-N
MW483.57 g/mol
LogP4.85
Rot. Bonds8

About 1-[4-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-phenylmethoxyethanone

1-[4-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-phenylmethoxyethanone (PubChem CID 155533838) has the molecular formula C29H29N3O4 and a molecular weight of 483.57 g/mol. Its IUPAC name is 1-[4-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-phenylmethoxyethanone.

Molecular Properties

Compound Name1-[4-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-phenylmethoxyethanone
PubChem CID155533838
Molecular FormulaC29H29N3O4
Molecular Weight483.57 g/mol
Exact Mass483.22
IUPAC Name1-[4-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-phenylmethoxyethanone
SMILESCOc1ccc(-c2cn3cc(C4=CCN(C(=O)COCc5ccccc5)CC4)ccc3n2)cc1OC
InChIInChI=1S/C29H29N3O4/c1-34-26-10-8-23(16-27(26)35-2)25-18-32-17-24(9-11-28(32)30-25)22-12-14-31(15-13-22)29(33)20-36-19-21-6-4-3-5-7-21/h3-12,16-18H,13-15,19-20H2,1-2H3
InChIKeyHLXUTTJUMLPCSB-UHFFFAOYSA-N
XLogP4.85
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.57
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-phenylmethoxyethanone 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 1-[4-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-phenylmethoxyethanone?
The IUPAC name of 1-[4-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-phenylmethoxyethanone (CID 155533838) is 1-[4-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-phenylmethoxyethanone.
What is the SMILES notation for 1-[4-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-phenylmethoxyethanone?
The canonical SMILES for 1-[4-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-phenylmethoxyethanone is COc1ccc(-c2cn3cc(C4=CCN(C(=O)COCc5ccccc5)CC4)ccc3n2)cc1OC.
What is the InChIKey of 1-[4-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-phenylmethoxyethanone?
The InChIKey is HLXUTTJUMLPCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N3O4/c1-34-26-10-8-23(16-27(26)35-2)25-18-32-17-24(9-11-28(32)30-25)22-12-14-31(15-13-22)29(33)20-36-19-21-6-4-3-5-7-21/h3-12,16-18H,13-15,19-20H2,1-2H3.
What are the key properties of 1-[4-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-phenylmethoxyethanone?
1-[4-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-phenylmethoxyethanone has a molecular weight of 483.57 g/mol, XLogP of 4.85, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-phenylmethoxyethanone is sourced from PubChem (CID 155533838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).