1-[3-(2,3-dimethylimidazol-4-yl)-1,7-naphthyridin-6-yl]-3-piperidin-1-ylbutan-2-one

C22H27N5O — CID 158944256

IUPAC1-[3-(2,3-dimethylimidazol-4-yl)-1,7-naphthyridin-6-yl]-3-piperidin-1-ylbutan-2-one
SMILESCc1ncc(-c2cnc3cnc(CC(=O)C(C)N4CCCCC4)cc3c2)n1C
InChIInChI=1S/C22H27N5O/c1-15(27-7-5-4-6-8-27)22(28)11-19-10-17-9-18(12-25-20(17)13-24-19)21-14-23-16(2)26(21)3/h9-10,12-15H,4-8,11H2,1-3H3
InChIKeyJKPWCCWGEVNDSW-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.32
Rot. Bonds5

About 1-[3-(2,3-dimethylimidazol-4-yl)-1,7-naphthyridin-6-yl]-3-piperidin-1-ylbutan-2-one

1-[3-(2,3-dimethylimidazol-4-yl)-1,7-naphthyridin-6-yl]-3-piperidin-1-ylbutan-2-one (PubChem CID 158944256) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is 1-[3-(2,3-dimethylimidazol-4-yl)-1,7-naphthyridin-6-yl]-3-piperidin-1-ylbutan-2-one.

Molecular Properties

Compound Name1-[3-(2,3-dimethylimidazol-4-yl)-1,7-naphthyridin-6-yl]-3-piperidin-1-ylbutan-2-one
PubChem CID158944256
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC Name1-[3-(2,3-dimethylimidazol-4-yl)-1,7-naphthyridin-6-yl]-3-piperidin-1-ylbutan-2-one
SMILESCc1ncc(-c2cnc3cnc(CC(=O)C(C)N4CCCCC4)cc3c2)n1C
InChIInChI=1S/C22H27N5O/c1-15(27-7-5-4-6-8-27)22(28)11-19-10-17-9-18(12-25-20(17)13-24-19)21-14-23-16(2)26(21)3/h9-10,12-15H,4-8,11H2,1-3H3
InChIKeyJKPWCCWGEVNDSW-UHFFFAOYSA-N
XLogP3.32
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[3-(2,3-dimethylimidazol-4-yl)-1,7-naphthyridin-6-yl]-3-piperidin-1-ylbutan-2-one with MolForge

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Related Compounds

N-[3-(2,3-dimethylimidazol-4-yl)-1,7-naphthyridin-6-yl]cyclohexanecarboxamide
CID 138588999
1-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-3-piperidin-1-ylbutan-2-one
CID 153255415
(3S)-3-pyrrolidin-1-yl-1-[6-[1-(trideuteriomethyl)pyrazol-4-yl]isoquinolin-3-yl]butan-2-one
CID 148885002
2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(4-fluoro-1-propan-2-ylpiperidin-4-yl)ethanone
CID 148784904
1-cyclopropyl-2-[6-(2,3-dimethylimidazol-4-yl)-2,7-naphthyridin-3-yl]ethanone
CID 159856629
2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]ethanone
CID 161079189
2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]ethanone
CID 148586552
2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[1-(oxetan-3-yl)azetidin-3-yl]ethanone
CID 147459817
2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(1-propan-2-ylpyrazol-4-yl)ethanone
CID 161237811
1-(4-cyclohexyloxyphenyl)-2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]ethanone
CID 157140304
methyl 2-[4-[2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]acetyl]piperidin-1-yl]acetate
CID 147776305
1-cyclopropyl-2-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]ethanone
CID 146828434

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,3-dimethylimidazol-4-yl)-1,7-naphthyridin-6-yl]-3-piperidin-1-ylbutan-2-one?
The IUPAC name of 1-[3-(2,3-dimethylimidazol-4-yl)-1,7-naphthyridin-6-yl]-3-piperidin-1-ylbutan-2-one (CID 158944256) is 1-[3-(2,3-dimethylimidazol-4-yl)-1,7-naphthyridin-6-yl]-3-piperidin-1-ylbutan-2-one.
What is the SMILES notation for 1-[3-(2,3-dimethylimidazol-4-yl)-1,7-naphthyridin-6-yl]-3-piperidin-1-ylbutan-2-one?
The canonical SMILES for 1-[3-(2,3-dimethylimidazol-4-yl)-1,7-naphthyridin-6-yl]-3-piperidin-1-ylbutan-2-one is Cc1ncc(-c2cnc3cnc(CC(=O)C(C)N4CCCCC4)cc3c2)n1C.
What is the InChIKey of 1-[3-(2,3-dimethylimidazol-4-yl)-1,7-naphthyridin-6-yl]-3-piperidin-1-ylbutan-2-one?
The InChIKey is JKPWCCWGEVNDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c1-15(27-7-5-4-6-8-27)22(28)11-19-10-17-9-18(12-25-20(17)13-24-19)21-14-23-16(2)26(21)3/h9-10,12-15H,4-8,11H2,1-3H3.
What are the key properties of 1-[3-(2,3-dimethylimidazol-4-yl)-1,7-naphthyridin-6-yl]-3-piperidin-1-ylbutan-2-one?
1-[3-(2,3-dimethylimidazol-4-yl)-1,7-naphthyridin-6-yl]-3-piperidin-1-ylbutan-2-one has a molecular weight of 377.49 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,3-dimethylimidazol-4-yl)-1,7-naphthyridin-6-yl]-3-piperidin-1-ylbutan-2-one is sourced from PubChem (CID 158944256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).