8-methyl-7-[3-(6-methyl-3-pyridinyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-(trifluoromethyl)-6,7-dihydropyrimido[1,2-b]pyridazin-4-one

C23H21F3N6O — CID 168998796

IUPAC8-methyl-7-[3-(6-methyl-3-pyridinyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-(trifluoromethyl)-6,7-dihydropyrimido[1,2-b]pyridazin-4-one
SMILESCC1=Cc2nc(C(F)(F)F)cc(=O)n2NC1N1CCc2ncc(-c3ccc(C)nc3)cc2C1
InChIInChI=1S/C23H21F3N6O/c1-13-7-20-29-19(23(24,25)26)9-21(33)32(20)30-22(13)31-6-5-18-17(12-31)8-16(11-28-18)15-4-3-14(2)27-10-15/h3-4,7-11,22,30H,5-6,12H2,1-2H3
InChIKeyZJEWQWXXTSGXDY-UHFFFAOYSA-N
MW454.46 g/mol
LogP3.37
Rot. Bonds2

About 8-methyl-7-[3-(6-methyl-3-pyridinyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-(trifluoromethyl)-6,7-dihydropyrimido[1,2-b]pyridazin-4-one

8-methyl-7-[3-(6-methyl-3-pyridinyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-(trifluoromethyl)-6,7-dihydropyrimido[1,2-b]pyridazin-4-one (PubChem CID 168998796) has the molecular formula C23H21F3N6O and a molecular weight of 454.46 g/mol. Its IUPAC name is 8-methyl-7-[3-(6-methyl-3-pyridinyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-(trifluoromethyl)-6,7-dihydropyrimido[1,2-b]pyridazin-4-one.

Molecular Properties

Compound Name8-methyl-7-[3-(6-methyl-3-pyridinyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-(trifluoromethyl)-6,7-dihydropyrimido[1,2-b]pyridazin-4-one
PubChem CID168998796
Molecular FormulaC23H21F3N6O
Molecular Weight454.46 g/mol
Exact Mass454.17
IUPAC Name8-methyl-7-[3-(6-methyl-3-pyridinyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-(trifluoromethyl)-6,7-dihydropyrimido[1,2-b]pyridazin-4-one
SMILESCC1=Cc2nc(C(F)(F)F)cc(=O)n2NC1N1CCc2ncc(-c3ccc(C)nc3)cc2C1
InChIInChI=1S/C23H21F3N6O/c1-13-7-20-29-19(23(24,25)26)9-21(33)32(20)30-22(13)31-6-5-18-17(12-31)8-16(11-28-18)15-4-3-14(2)27-10-15/h3-4,7-11,22,30H,5-6,12H2,1-2H3
InChIKeyZJEWQWXXTSGXDY-UHFFFAOYSA-N
XLogP3.37
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.46
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 8-methyl-7-[3-(6-methyl-3-pyridinyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-(trifluoromethyl)-6,7-dihydropyrimido[1,2-b]pyridazin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-7-[3-(6-methyl-3-pyridinyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-(trifluoromethyl)-6,7-dihydropyrimido[1,2-b]pyridazin-4-one?
The IUPAC name of 8-methyl-7-[3-(6-methyl-3-pyridinyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-(trifluoromethyl)-6,7-dihydropyrimido[1,2-b]pyridazin-4-one (CID 168998796) is 8-methyl-7-[3-(6-methyl-3-pyridinyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-(trifluoromethyl)-6,7-dihydropyrimido[1,2-b]pyridazin-4-one.
What is the SMILES notation for 8-methyl-7-[3-(6-methyl-3-pyridinyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-(trifluoromethyl)-6,7-dihydropyrimido[1,2-b]pyridazin-4-one?
The canonical SMILES for 8-methyl-7-[3-(6-methyl-3-pyridinyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-(trifluoromethyl)-6,7-dihydropyrimido[1,2-b]pyridazin-4-one is CC1=Cc2nc(C(F)(F)F)cc(=O)n2NC1N1CCc2ncc(-c3ccc(C)nc3)cc2C1.
What is the InChIKey of 8-methyl-7-[3-(6-methyl-3-pyridinyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-(trifluoromethyl)-6,7-dihydropyrimido[1,2-b]pyridazin-4-one?
The InChIKey is ZJEWQWXXTSGXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N6O/c1-13-7-20-29-19(23(24,25)26)9-21(33)32(20)30-22(13)31-6-5-18-17(12-31)8-16(11-28-18)15-4-3-14(2)27-10-15/h3-4,7-11,22,30H,5-6,12H2,1-2H3.
What are the key properties of 8-methyl-7-[3-(6-methyl-3-pyridinyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-(trifluoromethyl)-6,7-dihydropyrimido[1,2-b]pyridazin-4-one?
8-methyl-7-[3-(6-methyl-3-pyridinyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-(trifluoromethyl)-6,7-dihydropyrimido[1,2-b]pyridazin-4-one has a molecular weight of 454.46 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-7-[3-(6-methyl-3-pyridinyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-(trifluoromethyl)-6,7-dihydropyrimido[1,2-b]pyridazin-4-one is sourced from PubChem (CID 168998796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).