2-[3-(3-methylimidazol-4-yl)-1,7-naphthyridin-6-yl]-1-[(2R)-oxolan-2-yl]ethanone

C18H18N4O2 — CID 158654174

IUPAC2-[3-(3-methylimidazol-4-yl)-1,7-naphthyridin-6-yl]-1-[(2R)-oxolan-2-yl]ethanone
SMILESCn1cncc1-c1cnc2cnc(CC(=O)[C@H]3CCCO3)cc2c1
InChIInChI=1S/C18H18N4O2/c1-22-11-19-10-16(22)13-5-12-6-14(20-9-15(12)21-8-13)7-17(23)18-3-2-4-24-18/h5-6,8-11,18H,2-4,7H2,1H3/t18-/m1/s1
InChIKeyIBXPVYFOGUUPRW-GOSISDBHSA-N
MW322.37 g/mol
LogP2.32
Rot. Bonds4

About 2-[3-(3-methylimidazol-4-yl)-1,7-naphthyridin-6-yl]-1-[(2R)-oxolan-2-yl]ethanone

2-[3-(3-methylimidazol-4-yl)-1,7-naphthyridin-6-yl]-1-[(2R)-oxolan-2-yl]ethanone (PubChem CID 158654174) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 2-[3-(3-methylimidazol-4-yl)-1,7-naphthyridin-6-yl]-1-[(2R)-oxolan-2-yl]ethanone.

Molecular Properties

Compound Name2-[3-(3-methylimidazol-4-yl)-1,7-naphthyridin-6-yl]-1-[(2R)-oxolan-2-yl]ethanone
PubChem CID158654174
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name2-[3-(3-methylimidazol-4-yl)-1,7-naphthyridin-6-yl]-1-[(2R)-oxolan-2-yl]ethanone
SMILESCn1cncc1-c1cnc2cnc(CC(=O)[C@H]3CCCO3)cc2c1
InChIInChI=1S/C18H18N4O2/c1-22-11-19-10-16(22)13-5-12-6-14(20-9-15(12)21-8-13)7-17(23)18-3-2-4-24-18/h5-6,8-11,18H,2-4,7H2,1H3/t18-/m1/s1
InChIKeyIBXPVYFOGUUPRW-GOSISDBHSA-N
XLogP2.32
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[3-(3-methylimidazol-4-yl)-1,7-naphthyridin-6-yl]-1-[(2R)-oxolan-2-yl]ethanone with MolForge

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Related Compounds

3-fluoro-3-methyl-1-[3-(3-methylimidazol-4-yl)-1,7-naphthyridin-6-yl]butan-2-one
CID 159209064
2-[3-(3-methylimidazol-4-yl)-1,7-naphthyridin-6-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone
CID 148866426
1-[(2R)-oxolan-2-yl]-2-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]ethanone
CID 161456067
N-[3-(3-methylimidazol-4-yl)-1,7-naphthyridin-6-yl]-2-(1-methylpyrazol-4-yl)acetamide
CID 138587202
1-[1-(2-fluoroethyl)piperidin-4-yl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone
CID 158091038
1-cyclopropyl-2-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]ethanone
CID 146828434
(2R)-N-[6-(3-methylimidazol-4-yl)-2,7-naphthyridin-3-yl]oxolane-2-carboxamide
CID 138588775
1-(7-azabicyclo[2.2.1]heptan-7-yl)-3-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]propan-2-one
CID 153087123
(2R)-N-[3-(1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]oxolane-2-carboxamide
CID 138587315
1-[1-(2-methoxyethyl)piperidin-4-yl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone
CID 147308909
1-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-3-[(2S)-2-methylmorpholin-4-yl]propan-2-one
CID 147038523
1-[1-(2,2-difluoropropyl)piperidin-4-yl]-2-[3-(1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]ethanone
CID 158656022

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-methylimidazol-4-yl)-1,7-naphthyridin-6-yl]-1-[(2R)-oxolan-2-yl]ethanone?
The IUPAC name of 2-[3-(3-methylimidazol-4-yl)-1,7-naphthyridin-6-yl]-1-[(2R)-oxolan-2-yl]ethanone (CID 158654174) is 2-[3-(3-methylimidazol-4-yl)-1,7-naphthyridin-6-yl]-1-[(2R)-oxolan-2-yl]ethanone.
What is the SMILES notation for 2-[3-(3-methylimidazol-4-yl)-1,7-naphthyridin-6-yl]-1-[(2R)-oxolan-2-yl]ethanone?
The canonical SMILES for 2-[3-(3-methylimidazol-4-yl)-1,7-naphthyridin-6-yl]-1-[(2R)-oxolan-2-yl]ethanone is Cn1cncc1-c1cnc2cnc(CC(=O)[C@H]3CCCO3)cc2c1.
What is the InChIKey of 2-[3-(3-methylimidazol-4-yl)-1,7-naphthyridin-6-yl]-1-[(2R)-oxolan-2-yl]ethanone?
The InChIKey is IBXPVYFOGUUPRW-GOSISDBHSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-22-11-19-10-16(22)13-5-12-6-14(20-9-15(12)21-8-13)7-17(23)18-3-2-4-24-18/h5-6,8-11,18H,2-4,7H2,1H3/t18-/m1/s1.
What are the key properties of 2-[3-(3-methylimidazol-4-yl)-1,7-naphthyridin-6-yl]-1-[(2R)-oxolan-2-yl]ethanone?
2-[3-(3-methylimidazol-4-yl)-1,7-naphthyridin-6-yl]-1-[(2R)-oxolan-2-yl]ethanone has a molecular weight of 322.37 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-methylimidazol-4-yl)-1,7-naphthyridin-6-yl]-1-[(2R)-oxolan-2-yl]ethanone is sourced from PubChem (CID 158654174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).