7-fluoro-9-methyl-2-(2-methylimidazo[1,2-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one

C16H12FN5O — CID 118513909

IUPAC7-fluoro-9-methyl-2-(2-methylimidazo[1,2-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cn2nc(-c3cc(=O)n4cc(F)cc(C)c4n3)ccc2n1
InChIInChI=1S/C16H12FN5O/c1-9-5-11(17)8-21-15(23)6-13(19-16(9)21)12-3-4-14-18-10(2)7-22(14)20-12/h3-8H,1-2H3
InChIKeyNQVXJRPVXOFKBY-UHFFFAOYSA-N
MW309.30 g/mol
LogP2.16
Rot. Bonds1

About 7-fluoro-9-methyl-2-(2-methylimidazo[1,2-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one

7-fluoro-9-methyl-2-(2-methylimidazo[1,2-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 118513909) has the molecular formula C16H12FN5O and a molecular weight of 309.30 g/mol. Its IUPAC name is 7-fluoro-9-methyl-2-(2-methylimidazo[1,2-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-fluoro-9-methyl-2-(2-methylimidazo[1,2-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID118513909
Molecular FormulaC16H12FN5O
Molecular Weight309.30 g/mol
Exact Mass309.10
IUPAC Name7-fluoro-9-methyl-2-(2-methylimidazo[1,2-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cn2nc(-c3cc(=O)n4cc(F)cc(C)c4n3)ccc2n1
InChIInChI=1S/C16H12FN5O/c1-9-5-11(17)8-21-15(23)6-13(19-16(9)21)12-3-4-14-18-10(2)7-22(14)20-12/h3-8H,1-2H3
InChIKeyNQVXJRPVXOFKBY-UHFFFAOYSA-N
XLogP2.16
TPSA64.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.30
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-9-methyl-2-(2-methylimidazo[1,2-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-fluoro-9-methyl-2-(2-methylimidazo[1,2-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one (CID 118513909) is 7-fluoro-9-methyl-2-(2-methylimidazo[1,2-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-fluoro-9-methyl-2-(2-methylimidazo[1,2-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-fluoro-9-methyl-2-(2-methylimidazo[1,2-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one is Cc1cn2nc(-c3cc(=O)n4cc(F)cc(C)c4n3)ccc2n1.
What is the InChIKey of 7-fluoro-9-methyl-2-(2-methylimidazo[1,2-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is NQVXJRPVXOFKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN5O/c1-9-5-11(17)8-21-15(23)6-13(19-16(9)21)12-3-4-14-18-10(2)7-22(14)20-12/h3-8H,1-2H3.
What are the key properties of 7-fluoro-9-methyl-2-(2-methylimidazo[1,2-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one?
7-fluoro-9-methyl-2-(2-methylimidazo[1,2-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 309.30 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-9-methyl-2-(2-methylimidazo[1,2-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 118513909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).