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

C24H24FN5O2 — CID 168998946

IUPAC7-[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
SMILESCOc1ccc(-c2cnc3c(c2)CN(C2Nn4c(nc(C)cc4=O)C=C2C)CC3)cc1F
InChIInChI=1S/C24H24FN5O2/c1-14-8-22-27-15(2)9-23(31)30(22)28-24(14)29-7-6-20-18(13-29)10-17(12-26-20)16-4-5-21(32-3)19(25)11-16/h4-5,8-12,24,28H,6-7,13H2,1-3H3
InChIKeyXQFJDOIELPWXFB-UHFFFAOYSA-N
MW433.49 g/mol
LogP3.11
Rot. Bonds3

About 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

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 (PubChem CID 168998946) has the molecular formula C24H24FN5O2 and a molecular weight of 433.49 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-[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
PubChem CID168998946
Molecular FormulaC24H24FN5O2
Molecular Weight433.49 g/mol
Exact Mass433.19
IUPAC Name7-[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
SMILESCOc1ccc(-c2cnc3c(c2)CN(C2Nn4c(nc(C)cc4=O)C=C2C)CC3)cc1F
InChIInChI=1S/C24H24FN5O2/c1-14-8-22-27-15(2)9-23(31)30(22)28-24(14)29-7-6-20-18(13-29)10-17(12-26-20)16-4-5-21(32-3)19(25)11-16/h4-5,8-12,24,28H,6-7,13H2,1-3H3
InChIKeyXQFJDOIELPWXFB-UHFFFAOYSA-N
XLogP3.11
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc(-c2cnc3c(c2)CN(C2Nn4c(nc(C)cc4=O)C=C2C)CC3)cc1F.
What is the InChIKey of 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?
The InChIKey is XQFJDOIELPWXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O2/c1-14-8-22-27-15(2)9-23(31)30(22)28-24(14)29-7-6-20-18(13-29)10-17(12-26-20)16-4-5-21(32-3)19(25)11-16/h4-5,8-12,24,28H,6-7,13H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 433.49 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 168998946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).