3-fluoro-3-methyl-1-[3-(3-methylimidazol-4-yl)-1,7-naphthyridin-6-yl]butan-2-one

C17H17FN4O — CID 159209064

IUPAC3-fluoro-3-methyl-1-[3-(3-methylimidazol-4-yl)-1,7-naphthyridin-6-yl]butan-2-one
SMILESCn1cncc1-c1cnc2cnc(CC(=O)C(C)(C)F)cc2c1
InChIInChI=1S/C17H17FN4O/c1-17(2,18)16(23)6-13-5-11-4-12(7-21-14(11)8-20-13)15-9-19-10-22(15)3/h4-5,7-10H,6H2,1-3H3
InChIKeyKQGIRJXOGRHNSJ-UHFFFAOYSA-N
MW312.35 g/mol
LogP2.89
Rot. Bonds4

About 3-fluoro-3-methyl-1-[3-(3-methylimidazol-4-yl)-1,7-naphthyridin-6-yl]butan-2-one

3-fluoro-3-methyl-1-[3-(3-methylimidazol-4-yl)-1,7-naphthyridin-6-yl]butan-2-one (PubChem CID 159209064) has the molecular formula C17H17FN4O and a molecular weight of 312.35 g/mol. Its IUPAC name is 3-fluoro-3-methyl-1-[3-(3-methylimidazol-4-yl)-1,7-naphthyridin-6-yl]butan-2-one.

Molecular Properties

Compound Name3-fluoro-3-methyl-1-[3-(3-methylimidazol-4-yl)-1,7-naphthyridin-6-yl]butan-2-one
PubChem CID159209064
Molecular FormulaC17H17FN4O
Molecular Weight312.35 g/mol
Exact Mass312.14
IUPAC Name3-fluoro-3-methyl-1-[3-(3-methylimidazol-4-yl)-1,7-naphthyridin-6-yl]butan-2-one
SMILESCn1cncc1-c1cnc2cnc(CC(=O)C(C)(C)F)cc2c1
InChIInChI=1S/C17H17FN4O/c1-17(2,18)16(23)6-13-5-11-4-12(7-21-14(11)8-20-13)15-9-19-10-22(15)3/h4-5,7-10H,6H2,1-3H3
InChIKeyKQGIRJXOGRHNSJ-UHFFFAOYSA-N
XLogP2.89
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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1-[4-[3-(1-Quinazolin-2-ylazetidin-3-yl)pyrazin-2-yl]phenyl]ethanone
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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-methyl-1-[3-(3-methylimidazol-4-yl)-1,7-naphthyridin-6-yl]butan-2-one?
The IUPAC name of 3-fluoro-3-methyl-1-[3-(3-methylimidazol-4-yl)-1,7-naphthyridin-6-yl]butan-2-one (CID 159209064) is 3-fluoro-3-methyl-1-[3-(3-methylimidazol-4-yl)-1,7-naphthyridin-6-yl]butan-2-one.
What is the SMILES notation for 3-fluoro-3-methyl-1-[3-(3-methylimidazol-4-yl)-1,7-naphthyridin-6-yl]butan-2-one?
The canonical SMILES for 3-fluoro-3-methyl-1-[3-(3-methylimidazol-4-yl)-1,7-naphthyridin-6-yl]butan-2-one is Cn1cncc1-c1cnc2cnc(CC(=O)C(C)(C)F)cc2c1.
What is the InChIKey of 3-fluoro-3-methyl-1-[3-(3-methylimidazol-4-yl)-1,7-naphthyridin-6-yl]butan-2-one?
The InChIKey is KQGIRJXOGRHNSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O/c1-17(2,18)16(23)6-13-5-11-4-12(7-21-14(11)8-20-13)15-9-19-10-22(15)3/h4-5,7-10H,6H2,1-3H3.
What are the key properties of 3-fluoro-3-methyl-1-[3-(3-methylimidazol-4-yl)-1,7-naphthyridin-6-yl]butan-2-one?
3-fluoro-3-methyl-1-[3-(3-methylimidazol-4-yl)-1,7-naphthyridin-6-yl]butan-2-one has a molecular weight of 312.35 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-methyl-1-[3-(3-methylimidazol-4-yl)-1,7-naphthyridin-6-yl]butan-2-one is sourced from PubChem (CID 159209064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).