1-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-3-(2,4-dimethylphenyl)propan-1-one

C25H32N4O — CID 112806577

IUPAC1-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-3-(2,4-dimethylphenyl)propan-1-one
SMILESCc1ccc(CCC(=O)N2CCN(Cc3c(C)nc4cc(C)ccn34)CC2)c(C)c1
InChIInChI=1S/C25H32N4O/c1-18-5-6-22(20(3)15-18)7-8-25(30)28-13-11-27(12-14-28)17-23-21(4)26-24-16-19(2)9-10-29(23)24/h5-6,9-10,15-16H,7-8,11-14,17H2,1-4H3
InChIKeyZMTUSMLZMBWRGZ-UHFFFAOYSA-N
MW404.56 g/mol
LogP3.84
Rot. Bonds5

About 1-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-3-(2,4-dimethylphenyl)propan-1-one

1-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-3-(2,4-dimethylphenyl)propan-1-one (PubChem CID 112806577) has the molecular formula C25H32N4O and a molecular weight of 404.56 g/mol. Its IUPAC name is 1-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-3-(2,4-dimethylphenyl)propan-1-one.

Molecular Properties

Compound Name1-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-3-(2,4-dimethylphenyl)propan-1-one
PubChem CID112806577
Molecular FormulaC25H32N4O
Molecular Weight404.56 g/mol
Exact Mass404.26
IUPAC Name1-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-3-(2,4-dimethylphenyl)propan-1-one
SMILESCc1ccc(CCC(=O)N2CCN(Cc3c(C)nc4cc(C)ccn34)CC2)c(C)c1
InChIInChI=1S/C25H32N4O/c1-18-5-6-22(20(3)15-18)7-8-25(30)28-13-11-27(12-14-28)17-23-21(4)26-24-16-19(2)9-10-29(23)24/h5-6,9-10,15-16H,7-8,11-14,17H2,1-4H3
InChIKeyZMTUSMLZMBWRGZ-UHFFFAOYSA-N
XLogP3.84
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.56
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromophenyl)-1-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]ethanone
CID 112770886
1-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-3-(2-nitroanilino)propan-1-one
CID 112809154
[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-(5-methyl-2-pyrrolidin-1-ylphenyl)methanone
CID 75421319
1-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-2-(4-ethoxyphenyl)ethanone
CID 112770917
3-[3-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-3-oxopropyl]-1,2,3-benzotriazin-4-one
CID 112802213
3-[3-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one
CID 112808872
[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 112770860
(5-bromofuran-2-yl)-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]methanone
CID 112770870
(5-bromo-2-fluorophenyl)-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]methanone
CID 112770952
3-(2,4-dimethylphenyl)-1-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]propan-1-one
CID 134010057
[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-(1-pyrazin-2-ylpiperidin-4-yl)methanone
CID 112816261
1-(4-benzylpiperazin-1-yl)-3-(2-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one
CID 84565909

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-3-(2,4-dimethylphenyl)propan-1-one?
The IUPAC name of 1-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-3-(2,4-dimethylphenyl)propan-1-one (CID 112806577) is 1-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-3-(2,4-dimethylphenyl)propan-1-one.
What is the SMILES notation for 1-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-3-(2,4-dimethylphenyl)propan-1-one?
The canonical SMILES for 1-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-3-(2,4-dimethylphenyl)propan-1-one is Cc1ccc(CCC(=O)N2CCN(Cc3c(C)nc4cc(C)ccn34)CC2)c(C)c1.
What is the InChIKey of 1-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-3-(2,4-dimethylphenyl)propan-1-one?
The InChIKey is ZMTUSMLZMBWRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O/c1-18-5-6-22(20(3)15-18)7-8-25(30)28-13-11-27(12-14-28)17-23-21(4)26-24-16-19(2)9-10-29(23)24/h5-6,9-10,15-16H,7-8,11-14,17H2,1-4H3.
What are the key properties of 1-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-3-(2,4-dimethylphenyl)propan-1-one?
1-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-3-(2,4-dimethylphenyl)propan-1-one has a molecular weight of 404.56 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-3-(2,4-dimethylphenyl)propan-1-one is sourced from PubChem (CID 112806577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).