[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone

C25H27N5O2 — CID 112771925

IUPAC[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
SMILESCc1ccn2c(CN3CCN(C(=O)c4c(-c5ccccc5)noc4C)CC3)c(C)nc2c1
InChIInChI=1S/C25H27N5O2/c1-17-9-10-30-21(18(2)26-22(30)15-17)16-28-11-13-29(14-12-28)25(31)23-19(3)32-27-24(23)20-7-5-4-6-8-20/h4-10,15H,11-14,16H2,1-3H3
InChIKeyJYDVQDWGFDYTBX-UHFFFAOYSA-N
MW429.52 g/mol
LogP3.87
Rot. Bonds4

About [4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone

[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone (PubChem CID 112771925) has the molecular formula C25H27N5O2 and a molecular weight of 429.52 g/mol. Its IUPAC name is [4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
PubChem CID112771925
Molecular FormulaC25H27N5O2
Molecular Weight429.52 g/mol
Exact Mass429.22
IUPAC Name[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
SMILESCc1ccn2c(CN3CCN(C(=O)c4c(-c5ccccc5)noc4C)CC3)c(C)nc2c1
InChIInChI=1S/C25H27N5O2/c1-17-9-10-30-21(18(2)26-22(30)15-17)16-28-11-13-29(14-12-28)25(31)23-19(3)32-27-24(23)20-7-5-4-6-8-20/h4-10,15H,11-14,16H2,1-3H3
InChIKeyJYDVQDWGFDYTBX-UHFFFAOYSA-N
XLogP3.87
TPSA66.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[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
[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone
CID 112808087
(5-bromo-2-fluorophenyl)-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]methanone
CID 112770952
[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-(5-methyl-2-pyrrolidin-1-ylphenyl)methanone
CID 75421319
[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-(4-methyl-3-nitrophenyl)methanone
CID 112770934
[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
CID 9467999
(5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methanone
CID 3849264
[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone
CID 112808205
2-(4-bromophenyl)-1-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]ethanone
CID 112770886
[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
CID 9163498
[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone
CID 112770907

Frequently Asked Questions

What is the IUPAC name of [4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone?
The IUPAC name of [4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone (CID 112771925) is [4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone.
What is the SMILES notation for [4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone?
The canonical SMILES for [4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone is Cc1ccn2c(CN3CCN(C(=O)c4c(-c5ccccc5)noc4C)CC3)c(C)nc2c1.
What is the InChIKey of [4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone?
The InChIKey is JYDVQDWGFDYTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O2/c1-17-9-10-30-21(18(2)26-22(30)15-17)16-28-11-13-29(14-12-28)25(31)23-19(3)32-27-24(23)20-7-5-4-6-8-20/h4-10,15H,11-14,16H2,1-3H3.
What are the key properties of [4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone?
[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone has a molecular weight of 429.52 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 112771925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).