1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-[4-(2-methylimidazo[4,5-b]pyridin-3-yl)phenyl]ethanone

C27H29N5O — CID 20916164

IUPAC1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-[4-(2-methylimidazo[4,5-b]pyridin-3-yl)phenyl]ethanone
SMILESCc1cccc(N2CCN(C(=O)Cc3ccc(-n4c(C)nc5cccnc54)cc3)CC2)c1C
InChIInChI=1S/C27H29N5O/c1-19-6-4-8-25(20(19)2)30-14-16-31(17-15-30)26(33)18-22-9-11-23(12-10-22)32-21(3)29-24-7-5-13-28-27(24)32/h4-13H,14-18H2,1-3H3
InChIKeyAZDMLVSOPCYGBN-UHFFFAOYSA-N
MW439.56 g/mol
LogP4.24
Rot. Bonds4

About 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-[4-(2-methylimidazo[4,5-b]pyridin-3-yl)phenyl]ethanone

1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-[4-(2-methylimidazo[4,5-b]pyridin-3-yl)phenyl]ethanone (PubChem CID 20916164) has the molecular formula C27H29N5O and a molecular weight of 439.56 g/mol. Its IUPAC name is 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-[4-(2-methylimidazo[4,5-b]pyridin-3-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-[4-(2-methylimidazo[4,5-b]pyridin-3-yl)phenyl]ethanone
PubChem CID20916164
Molecular FormulaC27H29N5O
Molecular Weight439.56 g/mol
Exact Mass439.24
IUPAC Name1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-[4-(2-methylimidazo[4,5-b]pyridin-3-yl)phenyl]ethanone
SMILESCc1cccc(N2CCN(C(=O)Cc3ccc(-n4c(C)nc5cccnc54)cc3)CC2)c1C
InChIInChI=1S/C27H29N5O/c1-19-6-4-8-25(20(19)2)30-14-16-31(17-15-30)26(33)18-22-9-11-23(12-10-22)32-21(3)29-24-7-5-13-28-27(24)32/h4-13H,14-18H2,1-3H3
InChIKeyAZDMLVSOPCYGBN-UHFFFAOYSA-N
XLogP4.24
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2-methylimidazo[4,5-b]pyridin-3-yl)phenyl]-N-propylacetamide
CID 20916146
2-(3,4-dihydroxyphenyl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone
CID 113199055
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]butane-1,3-dione
CID 18073226
N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-2-(4-methylphenyl)acetamide
CID 112994487
8-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one
CID 22553372
1-(4-acetylpiperazin-1-yl)-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propane-1,3-dione
CID 108944891
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-quinolin-8-yloxyethanone
CID 99838467
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(1,3-oxazol-4-yl)ethanone
CID 110686297
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-pyrrol-1-ylethanone
CID 5308589
2-(2,6-dichlorophenyl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone
CID 2669186
2-(4-acetylpiperazin-1-yl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone
CID 108996074
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethane-1,2-dione
CID 108531669

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-[4-(2-methylimidazo[4,5-b]pyridin-3-yl)phenyl]ethanone?
The IUPAC name of 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-[4-(2-methylimidazo[4,5-b]pyridin-3-yl)phenyl]ethanone (CID 20916164) is 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-[4-(2-methylimidazo[4,5-b]pyridin-3-yl)phenyl]ethanone.
What is the SMILES notation for 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-[4-(2-methylimidazo[4,5-b]pyridin-3-yl)phenyl]ethanone?
The canonical SMILES for 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-[4-(2-methylimidazo[4,5-b]pyridin-3-yl)phenyl]ethanone is Cc1cccc(N2CCN(C(=O)Cc3ccc(-n4c(C)nc5cccnc54)cc3)CC2)c1C.
What is the InChIKey of 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-[4-(2-methylimidazo[4,5-b]pyridin-3-yl)phenyl]ethanone?
The InChIKey is AZDMLVSOPCYGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O/c1-19-6-4-8-25(20(19)2)30-14-16-31(17-15-30)26(33)18-22-9-11-23(12-10-22)32-21(3)29-24-7-5-13-28-27(24)32/h4-13H,14-18H2,1-3H3.
What are the key properties of 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-[4-(2-methylimidazo[4,5-b]pyridin-3-yl)phenyl]ethanone?
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-[4-(2-methylimidazo[4,5-b]pyridin-3-yl)phenyl]ethanone has a molecular weight of 439.56 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-[4-(2-methylimidazo[4,5-b]pyridin-3-yl)phenyl]ethanone is sourced from PubChem (CID 20916164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).