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

C20H20N6O — CID 161078464

IUPAC2-[6-(3-methylimidazol-4-yl)-2,7-naphthyridin-3-yl]-1-(1-propan-2-ylpyrazol-4-yl)ethanone
SMILESCC(C)n1cc(C(=O)Cc2cc3cc(-c4cncn4C)ncc3cn2)cn1
InChIInChI=1S/C20H20N6O/c1-13(2)26-11-16(9-24-26)20(27)6-17-4-14-5-18(19-10-21-12-25(19)3)23-8-15(14)7-22-17/h4-5,7-13H,6H2,1-3H3
InChIKeyUFPCWSKGNPLEAS-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.23
Rot. Bonds5

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

2-[6-(3-methylimidazol-4-yl)-2,7-naphthyridin-3-yl]-1-(1-propan-2-ylpyrazol-4-yl)ethanone (PubChem CID 161078464) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is 2-[6-(3-methylimidazol-4-yl)-2,7-naphthyridin-3-yl]-1-(1-propan-2-ylpyrazol-4-yl)ethanone.

Molecular Properties

Compound Name2-[6-(3-methylimidazol-4-yl)-2,7-naphthyridin-3-yl]-1-(1-propan-2-ylpyrazol-4-yl)ethanone
PubChem CID161078464
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC Name2-[6-(3-methylimidazol-4-yl)-2,7-naphthyridin-3-yl]-1-(1-propan-2-ylpyrazol-4-yl)ethanone
SMILESCC(C)n1cc(C(=O)Cc2cc3cc(-c4cncn4C)ncc3cn2)cn1
InChIInChI=1S/C20H20N6O/c1-13(2)26-11-16(9-24-26)20(27)6-17-4-14-5-18(19-10-21-12-25(19)3)23-8-15(14)7-22-17/h4-5,7-13H,6H2,1-3H3
InChIKeyUFPCWSKGNPLEAS-UHFFFAOYSA-N
XLogP3.23
TPSA78.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[6-(3-methylimidazol-4-yl)-2,7-naphthyridin-3-yl]-1-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]ethanone
CID 147770865
1-(2-chloro-3,4,5,6-tetradeuteriophenyl)-2-[6-(3-methylimidazol-4-yl)-2,7-naphthyridin-3-yl]ethanone
CID 157198042
2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(1-propan-2-ylpyrazol-4-yl)ethanone
CID 161237811
2-[6-(3-propan-2-ylimidazol-4-yl)cinnolin-3-yl]-1-(1-propan-2-ylpyrazol-4-yl)ethanone
CID 160923056
2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone
CID 147352426
2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[3-(pyrrolidin-1-ylmethyl)phenyl]ethanone
CID 147155826
2-[2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]-1-(1-propan-2-ylpyrazol-4-yl)ethanone
CID 147995792
2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[2-(2,2,3,3,4,5,5,6,6-nonadeuterio-4-methylpiperidin-1-yl)-4-pyridinyl]ethanone
CID 159225443
2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[2-(1-propan-2-ylpiperidin-4-yl)oxy-4-pyridinyl]ethanone
CID 149088462
2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone
CID 149080045
2-[3-(3-methylimidazol-4-yl)-1,7-naphthyridin-6-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone
CID 148866426
2-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
CID 162233590

Frequently Asked Questions

What is the IUPAC name of 2-[6-(3-methylimidazol-4-yl)-2,7-naphthyridin-3-yl]-1-(1-propan-2-ylpyrazol-4-yl)ethanone?
The IUPAC name of 2-[6-(3-methylimidazol-4-yl)-2,7-naphthyridin-3-yl]-1-(1-propan-2-ylpyrazol-4-yl)ethanone (CID 161078464) is 2-[6-(3-methylimidazol-4-yl)-2,7-naphthyridin-3-yl]-1-(1-propan-2-ylpyrazol-4-yl)ethanone.
What is the SMILES notation for 2-[6-(3-methylimidazol-4-yl)-2,7-naphthyridin-3-yl]-1-(1-propan-2-ylpyrazol-4-yl)ethanone?
The canonical SMILES for 2-[6-(3-methylimidazol-4-yl)-2,7-naphthyridin-3-yl]-1-(1-propan-2-ylpyrazol-4-yl)ethanone is CC(C)n1cc(C(=O)Cc2cc3cc(-c4cncn4C)ncc3cn2)cn1.
What is the InChIKey of 2-[6-(3-methylimidazol-4-yl)-2,7-naphthyridin-3-yl]-1-(1-propan-2-ylpyrazol-4-yl)ethanone?
The InChIKey is UFPCWSKGNPLEAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O/c1-13(2)26-11-16(9-24-26)20(27)6-17-4-14-5-18(19-10-21-12-25(19)3)23-8-15(14)7-22-17/h4-5,7-13H,6H2,1-3H3.
What are the key properties of 2-[6-(3-methylimidazol-4-yl)-2,7-naphthyridin-3-yl]-1-(1-propan-2-ylpyrazol-4-yl)ethanone?
2-[6-(3-methylimidazol-4-yl)-2,7-naphthyridin-3-yl]-1-(1-propan-2-ylpyrazol-4-yl)ethanone has a molecular weight of 360.42 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3-methylimidazol-4-yl)-2,7-naphthyridin-3-yl]-1-(1-propan-2-ylpyrazol-4-yl)ethanone is sourced from PubChem (CID 161078464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).