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

C25H24F3N5O3 — CID 168999088

IUPAC2-(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
SMILESCOCc1cc(=O)n2c(n1)C=C(C)C(N1CCc3ncc(-c4ccccc4OC(F)(F)F)cc3C1)N2
InChIInChI=1S/C25H24F3N5O3/c1-15-9-22-30-18(14-35-2)11-23(34)33(22)31-24(15)32-8-7-20-17(13-32)10-16(12-29-20)19-5-3-4-6-21(19)36-25(26,27)28/h3-6,9-12,24,31H,7-8,13-14H2,1-2H3
InChIKeyHRIHNRSXXRMSTR-UHFFFAOYSA-N
MW499.49 g/mol
LogP3.70
Rot. Bonds5

About 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

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 (PubChem CID 168999088) has the molecular formula C25H24F3N5O3 and a molecular weight of 499.49 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID168999088
Molecular FormulaC25H24F3N5O3
Molecular Weight499.49 g/mol
Exact Mass499.18
IUPAC Name2-(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
SMILESCOCc1cc(=O)n2c(n1)C=C(C)C(N1CCc3ncc(-c4ccccc4OC(F)(F)F)cc3C1)N2
InChIInChI=1S/C25H24F3N5O3/c1-15-9-22-30-18(14-35-2)11-23(34)33(22)31-24(15)32-8-7-20-17(13-32)10-16(12-29-20)19-5-3-4-6-21(19)36-25(26,27)28/h3-6,9-12,24,31H,7-8,13-14H2,1-2H3
InChIKeyHRIHNRSXXRMSTR-UHFFFAOYSA-N
XLogP3.70
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.49
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COCc1cc(=O)n2c(n1)C=C(C)C(N1CCc3ncc(-c4ccccc4OC(F)(F)F)cc3C1)N2.
What is the InChIKey of 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?
The InChIKey is HRIHNRSXXRMSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3N5O3/c1-15-9-22-30-18(14-35-2)11-23(34)33(22)31-24(15)32-8-7-20-17(13-32)10-16(12-29-20)19-5-3-4-6-21(19)36-25(26,27)28/h3-6,9-12,24,31H,7-8,13-14H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 499.49 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 168999088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).