3-[6-(3-ethoxyphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one

C36H38N4O4 — CID 83273651

IUPAC3-[6-(3-ethoxyphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
SMILESCCOc1cccc(-c2ccc3nc(-c4ccc(OC)cc4)c(CCC(=O)N4CCN(c5ccccc5OC)CC4)n3c2)c1
InChIInChI=1S/C36H38N4O4/c1-4-44-30-9-7-8-27(24-30)28-14-18-34-37-36(26-12-15-29(42-2)16-13-26)32(40(34)25-28)17-19-35(41)39-22-20-38(21-23-39)31-10-5-6-11-33(31)43-3/h5-16,18,24-25H,4,17,19-23H2,1-3H3
InChIKeyBUBLVPNKRSYLOI-UHFFFAOYSA-N
MW590.72 g/mol
LogP6.37
Rot. Bonds10

About 3-[6-(3-ethoxyphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one

3-[6-(3-ethoxyphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one (PubChem CID 83273651) has the molecular formula C36H38N4O4 and a molecular weight of 590.72 g/mol. Its IUPAC name is 3-[6-(3-ethoxyphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-[6-(3-ethoxyphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
PubChem CID83273651
Molecular FormulaC36H38N4O4
Molecular Weight590.72 g/mol
Exact Mass590.29
IUPAC Name3-[6-(3-ethoxyphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
SMILESCCOc1cccc(-c2ccc3nc(-c4ccc(OC)cc4)c(CCC(=O)N4CCN(c5ccccc5OC)CC4)n3c2)c1
InChIInChI=1S/C36H38N4O4/c1-4-44-30-9-7-8-27(24-30)28-14-18-34-37-36(26-12-15-29(42-2)16-13-26)32(40(34)25-28)17-19-35(41)39-22-20-38(21-23-39)31-10-5-6-11-33(31)43-3/h5-16,18,24-25H,4,17,19-23H2,1-3H3
InChIKeyBUBLVPNKRSYLOI-UHFFFAOYSA-N
XLogP6.37
TPSA68.54 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.72
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[6-(3-ethoxyphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[6-(2,5-dimethylphenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 83276197
[4-[[2-(4-chlorophenyl)-6-(3-ethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 91635942
[4-[[6-(3-ethoxyphenyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-phenylmethanone
CID 83282490
3-(3-methoxyphenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 34318339
3-[2-(4-chlorophenyl)-6-(3-ethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-N-propan-2-ylpropanamide
CID 83282480
3-(3,5-dimethoxyphenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 8867327
3-[6-(4-chloro-2-methylphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 91635351
3-[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 91634623
1-[3-[6-(2-chlorophenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanoyl]piperidine-4-carboxamide
CID 83285003
ethyl 5-(4-methoxyphenyl)-1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-2-methylpyrrole-3-carboxylate
CID 46374698
[4-(2-ethoxyphenyl)piperazin-1-yl]-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]methanone
CID 46856952
6-(3-methoxyphenyl)-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 52902771

Frequently Asked Questions

What is the IUPAC name of 3-[6-(3-ethoxyphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-[6-(3-ethoxyphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one (CID 83273651) is 3-[6-(3-ethoxyphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-[6-(3-ethoxyphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-[6-(3-ethoxyphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one is CCOc1cccc(-c2ccc3nc(-c4ccc(OC)cc4)c(CCC(=O)N4CCN(c5ccccc5OC)CC4)n3c2)c1.
What is the InChIKey of 3-[6-(3-ethoxyphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one?
The InChIKey is BUBLVPNKRSYLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H38N4O4/c1-4-44-30-9-7-8-27(24-30)28-14-18-34-37-36(26-12-15-29(42-2)16-13-26)32(40(34)25-28)17-19-35(41)39-22-20-38(21-23-39)31-10-5-6-11-33(31)43-3/h5-16,18,24-25H,4,17,19-23H2,1-3H3.
What are the key properties of 3-[6-(3-ethoxyphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one?
3-[6-(3-ethoxyphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one has a molecular weight of 590.72 g/mol, XLogP of 6.37, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(3-ethoxyphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 83273651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).