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

C24H23F2N5O2 — CID 168998721

IUPAC7-[3-(2,5-difluorophenyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-(methoxymethyl)-8-methyl-6,7-dihydropyrimido[1,2-b]pyridazin-4-one
SMILESCOCc1cc(=O)n2c(n1)C=C(C)C(N1CCc3ncc(-c4cc(F)ccc4F)cc3C1)N2
InChIInChI=1S/C24H23F2N5O2/c1-14-7-22-28-18(13-33-2)10-23(32)31(22)29-24(14)30-6-5-21-16(12-30)8-15(11-27-21)19-9-17(25)3-4-20(19)26/h3-4,7-11,24,29H,5-6,12-13H2,1-2H3
InChIKeyNOHOAZWRWMABPD-UHFFFAOYSA-N
MW451.48 g/mol
LogP3.07
Rot. Bonds4

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

7-[3-(2,5-difluorophenyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-(methoxymethyl)-8-methyl-6,7-dihydropyrimido[1,2-b]pyridazin-4-one (PubChem CID 168998721) has the molecular formula C24H23F2N5O2 and a molecular weight of 451.48 g/mol. Its IUPAC name is 7-[3-(2,5-difluorophenyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-(methoxymethyl)-8-methyl-6,7-dihydropyrimido[1,2-b]pyridazin-4-one.

Molecular Properties

Compound Name7-[3-(2,5-difluorophenyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-(methoxymethyl)-8-methyl-6,7-dihydropyrimido[1,2-b]pyridazin-4-one
PubChem CID168998721
Molecular FormulaC24H23F2N5O2
Molecular Weight451.48 g/mol
Exact Mass451.18
IUPAC Name7-[3-(2,5-difluorophenyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-(methoxymethyl)-8-methyl-6,7-dihydropyrimido[1,2-b]pyridazin-4-one
SMILESCOCc1cc(=O)n2c(n1)C=C(C)C(N1CCc3ncc(-c4cc(F)ccc4F)cc3C1)N2
InChIInChI=1S/C24H23F2N5O2/c1-14-7-22-28-18(13-33-2)10-23(32)31(22)29-24(14)30-6-5-21-16(12-30)8-15(11-27-21)19-9-17(25)3-4-20(19)26/h3-4,7-11,24,29H,5-6,12-13H2,1-2H3
InChIKeyNOHOAZWRWMABPD-UHFFFAOYSA-N
XLogP3.07
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.48
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-[3-(2,5-difluorophenyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-(methoxymethyl)-8-methyl-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-(2,5-difluorophenyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-(methoxymethyl)-8-methyl-6,7-dihydropyrimido[1,2-b]pyridazin-4-one?
The IUPAC name of 7-[3-(2,5-difluorophenyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-(methoxymethyl)-8-methyl-6,7-dihydropyrimido[1,2-b]pyridazin-4-one (CID 168998721) is 7-[3-(2,5-difluorophenyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-(methoxymethyl)-8-methyl-6,7-dihydropyrimido[1,2-b]pyridazin-4-one.
What is the SMILES notation for 7-[3-(2,5-difluorophenyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-(methoxymethyl)-8-methyl-6,7-dihydropyrimido[1,2-b]pyridazin-4-one?
The canonical SMILES for 7-[3-(2,5-difluorophenyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-(methoxymethyl)-8-methyl-6,7-dihydropyrimido[1,2-b]pyridazin-4-one is COCc1cc(=O)n2c(n1)C=C(C)C(N1CCc3ncc(-c4cc(F)ccc4F)cc3C1)N2.
What is the InChIKey of 7-[3-(2,5-difluorophenyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-(methoxymethyl)-8-methyl-6,7-dihydropyrimido[1,2-b]pyridazin-4-one?
The InChIKey is NOHOAZWRWMABPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N5O2/c1-14-7-22-28-18(13-33-2)10-23(32)31(22)29-24(14)30-6-5-21-16(12-30)8-15(11-27-21)19-9-17(25)3-4-20(19)26/h3-4,7-11,24,29H,5-6,12-13H2,1-2H3.
What are the key properties of 7-[3-(2,5-difluorophenyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-(methoxymethyl)-8-methyl-6,7-dihydropyrimido[1,2-b]pyridazin-4-one?
7-[3-(2,5-difluorophenyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-(methoxymethyl)-8-methyl-6,7-dihydropyrimido[1,2-b]pyridazin-4-one has a molecular weight of 451.48 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(2,5-difluorophenyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-(methoxymethyl)-8-methyl-6,7-dihydropyrimido[1,2-b]pyridazin-4-one is sourced from PubChem (CID 168998721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).