1-[4-[[6-(2,5-dimethylphenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]propan-1-one

C29H32N4O — CID 83281402

IUPAC1-[4-[[6-(2,5-dimethylphenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(Cc2c(-c3ccccc3)nc3ccc(-c4cc(C)ccc4C)cn23)CC1
InChIInChI=1S/C29H32N4O/c1-4-28(34)32-16-14-31(15-17-32)20-26-29(23-8-6-5-7-9-23)30-27-13-12-24(19-33(26)27)25-18-21(2)10-11-22(25)3/h5-13,18-19H,4,14-17,20H2,1-3H3
InChIKeyLETLJWMZZZKYPR-UHFFFAOYSA-N
MW452.60 g/mol
LogP5.34
Rot. Bonds5

About 1-[4-[[6-(2,5-dimethylphenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]propan-1-one

1-[4-[[6-(2,5-dimethylphenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]propan-1-one (PubChem CID 83281402) has the molecular formula C29H32N4O and a molecular weight of 452.60 g/mol. Its IUPAC name is 1-[4-[[6-(2,5-dimethylphenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-[[6-(2,5-dimethylphenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]propan-1-one
PubChem CID83281402
Molecular FormulaC29H32N4O
Molecular Weight452.60 g/mol
Exact Mass452.26
IUPAC Name1-[4-[[6-(2,5-dimethylphenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(Cc2c(-c3ccccc3)nc3ccc(-c4cc(C)ccc4C)cn23)CC1
InChIInChI=1S/C29H32N4O/c1-4-28(34)32-16-14-31(15-17-32)20-26-29(23-8-6-5-7-9-23)30-27-13-12-24(19-33(26)27)25-18-21(2)10-11-22(25)3/h5-13,18-19H,4,14-17,20H2,1-3H3
InChIKeyLETLJWMZZZKYPR-UHFFFAOYSA-N
XLogP5.34
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.60
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[[6-(2,5-dimethylphenyl)-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]propan-1-one
CID 83281400
[4-[[6-(2,5-dimethylphenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 83285862
1-[4-[[6-(2,5-dimethylphenyl)-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-phenylmethoxyethanone
CID 83276183
cyclobutyl-[4-[[6-(2,5-dimethylphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone
CID 83285824
1-[4-[[6-(3-methylphenyl)-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]propan-1-one
CID 83286700
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-[[6-(2,5-dimethylphenyl)-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-fluorophenyl)methanone
CID 83285810
N-(2,6-dimethylphenyl)-4-[[6-(3-methylphenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carboxamide
CID 83286760
[4-[[6-(2,5-dimethylphenyl)-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-nitrophenyl)methanone
CID 83276161
ethyl (3S)-1-[3-[6-(2,5-dimethylphenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]propanoyl]piperidine-3-carboxylate
CID 97037205
[4-[[6-(2-chlorophenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclobutylmethanone
CID 83288509
1-[4-[[2-(4-chlorophenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one
CID 83286724

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[6-(2,5-dimethylphenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 1-[4-[[6-(2,5-dimethylphenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]propan-1-one (CID 83281402) is 1-[4-[[6-(2,5-dimethylphenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-[[6-(2,5-dimethylphenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-[[6-(2,5-dimethylphenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]propan-1-one is CCC(=O)N1CCN(Cc2c(-c3ccccc3)nc3ccc(-c4cc(C)ccc4C)cn23)CC1.
What is the InChIKey of 1-[4-[[6-(2,5-dimethylphenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]propan-1-one?
The InChIKey is LETLJWMZZZKYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O/c1-4-28(34)32-16-14-31(15-17-32)20-26-29(23-8-6-5-7-9-23)30-27-13-12-24(19-33(26)27)25-18-21(2)10-11-22(25)3/h5-13,18-19H,4,14-17,20H2,1-3H3.
What are the key properties of 1-[4-[[6-(2,5-dimethylphenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]propan-1-one?
1-[4-[[6-(2,5-dimethylphenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]propan-1-one has a molecular weight of 452.60 g/mol, XLogP of 5.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[6-(2,5-dimethylphenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 83281402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).