1-[4-[4-[1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carbonyl]piperazin-1-yl]phenyl]ethanone

C25H25N7O3 — CID 53489749

IUPAC1-[4-[4-[1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carbonyl]piperazin-1-yl]phenyl]ethanone
SMILESCCc1noc(-c2cccnc2-n2cnc(C(=O)N3CCN(c4ccc(C(C)=O)cc4)CC3)c2)n1
InChIInChI=1S/C25H25N7O3/c1-3-22-28-24(35-29-22)20-5-4-10-26-23(20)32-15-21(27-16-32)25(34)31-13-11-30(12-14-31)19-8-6-18(7-9-19)17(2)33/h4-10,15-16H,3,11-14H2,1-2H3
InChIKeyYSWYAZJBCDKYBG-UHFFFAOYSA-N
MW471.52 g/mol
LogP3.04
Rot. Bonds6

About 1-[4-[4-[1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carbonyl]piperazin-1-yl]phenyl]ethanone

1-[4-[4-[1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carbonyl]piperazin-1-yl]phenyl]ethanone (PubChem CID 53489749) has the molecular formula C25H25N7O3 and a molecular weight of 471.52 g/mol. Its IUPAC name is 1-[4-[4-[1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carbonyl]piperazin-1-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[4-[1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carbonyl]piperazin-1-yl]phenyl]ethanone
PubChem CID53489749
Molecular FormulaC25H25N7O3
Molecular Weight471.52 g/mol
Exact Mass471.20
IUPAC Name1-[4-[4-[1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carbonyl]piperazin-1-yl]phenyl]ethanone
SMILESCCc1noc(-c2cccnc2-n2cnc(C(=O)N3CCN(c4ccc(C(C)=O)cc4)CC3)c2)n1
InChIInChI=1S/C25H25N7O3/c1-3-22-28-24(35-29-22)20-5-4-10-26-23(20)32-15-21(27-16-32)25(34)31-13-11-30(12-14-31)19-8-6-18(7-9-19)17(2)33/h4-10,15-16H,3,11-14H2,1-2H3
InChIKeyYSWYAZJBCDKYBG-UHFFFAOYSA-N
XLogP3.04
TPSA110.25 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.52
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

[4-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-1,4-diazepan-1-yl]-(4-fluorophenyl)methanone
CID 53182151
N-benzyl-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
CID 53490029
(3,5-dimethylphenyl)-[4-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-1,4-diazepan-1-yl]methanone
CID 53182170
1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxylic acid
CID 53353072
N-[(2,4-dimethoxyphenyl)methyl]-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
CID 53490034
N-(2,3-dimethylphenyl)-1-[3-(3-propyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
CID 53178511
1-[4-[4-(isoquinoline-1-carbonyl)piperazin-1-yl]phenyl]ethanone
CID 6733703
(4-methoxyphenyl)-[4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-1,4-diazepan-1-yl]methanone
CID 53182130
1-[4-[4-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperazin-1-yl]phenyl]ethanone
CID 1247458
N-[(2-methylphenyl)methyl]-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
CID 53178562
1-[4-[4-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carbonyl]piperazin-1-yl]phenyl]ethanone
CID 26394752
5-[2-[4-[(4-bromophenyl)methyl]-1,4-diazepan-1-yl]-3-pyridinyl]-3-ethyl-1,2,4-oxadiazole
CID 53182061

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carbonyl]piperazin-1-yl]phenyl]ethanone?
The IUPAC name of 1-[4-[4-[1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carbonyl]piperazin-1-yl]phenyl]ethanone (CID 53489749) is 1-[4-[4-[1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carbonyl]piperazin-1-yl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[4-[1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carbonyl]piperazin-1-yl]phenyl]ethanone?
The canonical SMILES for 1-[4-[4-[1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carbonyl]piperazin-1-yl]phenyl]ethanone is CCc1noc(-c2cccnc2-n2cnc(C(=O)N3CCN(c4ccc(C(C)=O)cc4)CC3)c2)n1.
What is the InChIKey of 1-[4-[4-[1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carbonyl]piperazin-1-yl]phenyl]ethanone?
The InChIKey is YSWYAZJBCDKYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O3/c1-3-22-28-24(35-29-22)20-5-4-10-26-23(20)32-15-21(27-16-32)25(34)31-13-11-30(12-14-31)19-8-6-18(7-9-19)17(2)33/h4-10,15-16H,3,11-14H2,1-2H3.
What are the key properties of 1-[4-[4-[1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carbonyl]piperazin-1-yl]phenyl]ethanone?
1-[4-[4-[1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carbonyl]piperazin-1-yl]phenyl]ethanone has a molecular weight of 471.52 g/mol, XLogP of 3.04, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carbonyl]piperazin-1-yl]phenyl]ethanone is sourced from PubChem (CID 53489749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).