7-[3-(4-fluoro-3-methoxyphenyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-8-methylpyrimido[1,2-b]pyridazin-4-one

C23H20FN5O2 — CID 168999080

IUPAC7-[3-(4-fluoro-3-methoxyphenyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-8-methylpyrimido[1,2-b]pyridazin-4-one
SMILESCOc1cc(-c2cnc3c(c2)CN(c2nn4c(=O)ccnc4cc2C)CC3)ccc1F
InChIInChI=1S/C23H20FN5O2/c1-14-9-21-25-7-5-22(30)29(21)27-23(14)28-8-6-19-17(13-28)10-16(12-26-19)15-3-4-18(24)20(11-15)31-2/h3-5,7,9-12H,6,8,13H2,1-2H3
InChIKeyNYNRYPGNIUZUDM-UHFFFAOYSA-N
MW417.44 g/mol
LogP3.17
Rot. Bonds3

About 7-[3-(4-fluoro-3-methoxyphenyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-8-methylpyrimido[1,2-b]pyridazin-4-one

7-[3-(4-fluoro-3-methoxyphenyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-8-methylpyrimido[1,2-b]pyridazin-4-one (PubChem CID 168999080) has the molecular formula C23H20FN5O2 and a molecular weight of 417.44 g/mol. Its IUPAC name is 7-[3-(4-fluoro-3-methoxyphenyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-8-methylpyrimido[1,2-b]pyridazin-4-one.

Molecular Properties

Compound Name7-[3-(4-fluoro-3-methoxyphenyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-8-methylpyrimido[1,2-b]pyridazin-4-one
PubChem CID168999080
Molecular FormulaC23H20FN5O2
Molecular Weight417.44 g/mol
Exact Mass417.16
IUPAC Name7-[3-(4-fluoro-3-methoxyphenyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-8-methylpyrimido[1,2-b]pyridazin-4-one
SMILESCOc1cc(-c2cnc3c(c2)CN(c2nn4c(=O)ccnc4cc2C)CC3)ccc1F
InChIInChI=1S/C23H20FN5O2/c1-14-9-21-25-7-5-22(30)29(21)27-23(14)28-8-6-19-17(13-28)10-16(12-26-19)15-3-4-18(24)20(11-15)31-2/h3-5,7,9-12H,6,8,13H2,1-2H3
InChIKeyNYNRYPGNIUZUDM-UHFFFAOYSA-N
XLogP3.17
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 7-[3-(4-fluoro-3-methoxyphenyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-8-methylpyrimido[1,2-b]pyridazin-4-one with MolForge

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Related Compounds

8-(3-Methoxyphenyl)-7-(4-methylphenyl)-2-[[6-(trifluoromethyl)pyridin-3-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 59716511
2-(difluoromethyl)-7-[3-(6-methoxy-3-pyridinyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-8,9-dimethyl-6,7-dihydropyrimido[1,2-b]pyridazin-4-one
CID 168998689
7-[3-(2-fluorophenoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-8,9-dimethylpyrimido[1,2-b]pyridazin-4-one
CID 168998694
2-[(1Z)-3-[3-[2-(1,1-difluoroethoxy)phenyl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-methylbuta-1,3-dienyl]-4-methyl-1H-pyrimidin-6-one
CID 168998867
7-[3-(6-methoxy-3-pyridinyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-8-methyl-2-(trifluoromethyl)pyrimido[1,2-b]pyridazin-4-one
CID 168998881
2-(difluoromethyl)-7-[3-(6-methoxy-4-methyl-3-pyridinyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-8,9-dimethyl-6,7-dihydropyrimido[1,2-b]pyridazin-4-one
CID 168998934
7-[3-(3-fluoro-4-methoxyphenyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2,8-dimethyl-6,7-dihydropyrimido[1,2-b]pyridazin-4-one
CID 168998946
2-(difluoromethyl)-7-[3-(5-methoxy-3-pyridinyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-8,9-dimethyl-6,7-dihydropyrimido[1,2-b]pyridazin-4-one
CID 168999046
2-(methoxymethyl)-8-methyl-7-[3-[2-(trifluoromethoxy)phenyl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-6,7-dihydropyrimido[1,2-b]pyridazin-4-one
CID 168999088
2-(difluoromethyl)-7-[3-(5-ethyl-6-methoxy-3-pyridinyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-8,9-dimethyl-6,7-dihydropyrimido[1,2-b]pyridazin-4-one
CID 168999184
2-[(2Z)-4-[3-[2-(1,1-difluoroethoxy)phenyl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-3-methylpenta-2,4-dien-2-yl]-4-methyl-1H-pyrimidin-6-one
CID 168999186
7-[3-(3,5-difluoro-4-methoxy-2-methylphenyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-5,6-dimethyl-2-(oxan-4-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrimidin-3-one
CID 172387070

Frequently Asked Questions

What is the IUPAC name of 7-[3-(4-fluoro-3-methoxyphenyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-8-methylpyrimido[1,2-b]pyridazin-4-one?
The IUPAC name of 7-[3-(4-fluoro-3-methoxyphenyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-8-methylpyrimido[1,2-b]pyridazin-4-one (CID 168999080) is 7-[3-(4-fluoro-3-methoxyphenyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-8-methylpyrimido[1,2-b]pyridazin-4-one.
What is the SMILES notation for 7-[3-(4-fluoro-3-methoxyphenyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-8-methylpyrimido[1,2-b]pyridazin-4-one?
The canonical SMILES for 7-[3-(4-fluoro-3-methoxyphenyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-8-methylpyrimido[1,2-b]pyridazin-4-one is COc1cc(-c2cnc3c(c2)CN(c2nn4c(=O)ccnc4cc2C)CC3)ccc1F.
What is the InChIKey of 7-[3-(4-fluoro-3-methoxyphenyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-8-methylpyrimido[1,2-b]pyridazin-4-one?
The InChIKey is NYNRYPGNIUZUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O2/c1-14-9-21-25-7-5-22(30)29(21)27-23(14)28-8-6-19-17(13-28)10-16(12-26-19)15-3-4-18(24)20(11-15)31-2/h3-5,7,9-12H,6,8,13H2,1-2H3.
What are the key properties of 7-[3-(4-fluoro-3-methoxyphenyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-8-methylpyrimido[1,2-b]pyridazin-4-one?
7-[3-(4-fluoro-3-methoxyphenyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-8-methylpyrimido[1,2-b]pyridazin-4-one has a molecular weight of 417.44 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(4-fluoro-3-methoxyphenyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-8-methylpyrimido[1,2-b]pyridazin-4-one is sourced from PubChem (CID 168999080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).