1-cyclopropyl-2-[6-(2,3-dimethylimidazol-4-yl)-2,7-naphthyridin-3-yl]ethanone

C18H18N4O — CID 159856629

IUPAC1-cyclopropyl-2-[6-(2,3-dimethylimidazol-4-yl)-2,7-naphthyridin-3-yl]ethanone
SMILESCc1ncc(-c2cc3cc(CC(=O)C4CC4)ncc3cn2)n1C
InChIInChI=1S/C18H18N4O/c1-11-19-10-17(22(11)2)16-6-13-5-15(7-18(23)12-3-4-12)20-8-14(13)9-21-16/h5-6,8-10,12H,3-4,7H2,1-2H3
InChIKeyNQPQLFMTBPUAKX-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.86
Rot. Bonds4

About 1-cyclopropyl-2-[6-(2,3-dimethylimidazol-4-yl)-2,7-naphthyridin-3-yl]ethanone

1-cyclopropyl-2-[6-(2,3-dimethylimidazol-4-yl)-2,7-naphthyridin-3-yl]ethanone (PubChem CID 159856629) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 1-cyclopropyl-2-[6-(2,3-dimethylimidazol-4-yl)-2,7-naphthyridin-3-yl]ethanone.

Molecular Properties

Compound Name1-cyclopropyl-2-[6-(2,3-dimethylimidazol-4-yl)-2,7-naphthyridin-3-yl]ethanone
PubChem CID159856629
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name1-cyclopropyl-2-[6-(2,3-dimethylimidazol-4-yl)-2,7-naphthyridin-3-yl]ethanone
SMILESCc1ncc(-c2cc3cc(CC(=O)C4CC4)ncc3cn2)n1C
InChIInChI=1S/C18H18N4O/c1-11-19-10-17(22(11)2)16-6-13-5-15(7-18(23)12-3-4-12)20-8-14(13)9-21-16/h5-6,8-10,12H,3-4,7H2,1-2H3
InChIKeyNQPQLFMTBPUAKX-UHFFFAOYSA-N
XLogP2.86
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopropyl-2-[6-(1-methyltriazol-4-yl)-2,7-naphthyridin-3-yl]ethanone
CID 158116535
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-(2-propan-2-yloxyethyl)piperidin-4-yl]ethanone
CID 161079189
methyl 2-[4-[2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]acetyl]piperidin-1-yl]acetate
CID 147776305
2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[1-(oxetan-3-yl)azetidin-3-yl]ethanone
CID 147459817
2-[6-(2-methyl-1,3-oxazol-5-yl)-2,7-naphthyridin-3-yl]-1-(4-morpholin-4-ylcyclohexyl)ethanone
CID 147235272
2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[1-[(1-methylcyclopropyl)methyl]azetidin-3-yl]ethanone
CID 152873123
2-[4-[2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]acetyl]piperidin-1-yl]acetic acid
CID 158970012
1-[4-[(4-methylpiperazin-1-yl)methyl]cyclohexyl]-2-[6-(1,3-oxazol-5-yl)-2,7-naphthyridin-3-yl]ethanone
CID 160782355
1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-2-[6-(1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]ethanone
CID 158814116
1-cyclopropyl-2-[6-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]ethanone
CID 158014450
1-cyclopropyl-2-[6-(7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)isoquinolin-3-yl]ethanone
CID 153047803

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[6-(2,3-dimethylimidazol-4-yl)-2,7-naphthyridin-3-yl]ethanone?
The IUPAC name of 1-cyclopropyl-2-[6-(2,3-dimethylimidazol-4-yl)-2,7-naphthyridin-3-yl]ethanone (CID 159856629) is 1-cyclopropyl-2-[6-(2,3-dimethylimidazol-4-yl)-2,7-naphthyridin-3-yl]ethanone.
What is the SMILES notation for 1-cyclopropyl-2-[6-(2,3-dimethylimidazol-4-yl)-2,7-naphthyridin-3-yl]ethanone?
The canonical SMILES for 1-cyclopropyl-2-[6-(2,3-dimethylimidazol-4-yl)-2,7-naphthyridin-3-yl]ethanone is Cc1ncc(-c2cc3cc(CC(=O)C4CC4)ncc3cn2)n1C.
What is the InChIKey of 1-cyclopropyl-2-[6-(2,3-dimethylimidazol-4-yl)-2,7-naphthyridin-3-yl]ethanone?
The InChIKey is NQPQLFMTBPUAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-11-19-10-17(22(11)2)16-6-13-5-15(7-18(23)12-3-4-12)20-8-14(13)9-21-16/h5-6,8-10,12H,3-4,7H2,1-2H3.
What are the key properties of 1-cyclopropyl-2-[6-(2,3-dimethylimidazol-4-yl)-2,7-naphthyridin-3-yl]ethanone?
1-cyclopropyl-2-[6-(2,3-dimethylimidazol-4-yl)-2,7-naphthyridin-3-yl]ethanone has a molecular weight of 306.37 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[6-(2,3-dimethylimidazol-4-yl)-2,7-naphthyridin-3-yl]ethanone is sourced from PubChem (CID 159856629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).