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

C25H26F2N6O2 — CID 168998934

IUPAC2-(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
SMILESCOc1cc(C)c(-c2cnc3c(c2)CN(C2Nn4c(nc(C(F)F)cc4=O)C(C)=C2C)CC3)cn1
InChIInChI=1S/C25H26F2N6O2/c1-13-7-21(35-4)29-11-18(13)16-8-17-12-32(6-5-19(17)28-10-16)25-15(3)14(2)24-30-20(23(26)27)9-22(34)33(24)31-25/h7-11,23,25,31H,5-6,12H2,1-4H3
InChIKeyIHADTXUZASYMHQ-UHFFFAOYSA-N
MW480.52 g/mol
LogP3.69
Rot. Bonds4

About 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

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 (PubChem CID 168998934) has the molecular formula C25H26F2N6O2 and a molecular weight of 480.52 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID168998934
Molecular FormulaC25H26F2N6O2
Molecular Weight480.52 g/mol
Exact Mass480.21
IUPAC Name2-(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
SMILESCOc1cc(C)c(-c2cnc3c(c2)CN(C2Nn4c(nc(C(F)F)cc4=O)C(C)=C2C)CC3)cn1
InChIInChI=1S/C25H26F2N6O2/c1-13-7-21(35-4)29-11-18(13)16-8-17-12-32(6-5-19(17)28-10-16)25-15(3)14(2)24-30-20(23(26)27)9-22(34)33(24)31-25/h7-11,23,25,31H,5-6,12H2,1-4H3
InChIKeyIHADTXUZASYMHQ-UHFFFAOYSA-N
XLogP3.69
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.52
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

2-[2-(Aminomethyl)-3,3-difluoroprop-2-enyl]-4-[5-(6-methoxypyridin-3-yl)-3-methylpyridin-2-yl]-1,2,4-triazol-3-one
CID 153607758
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
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
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
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
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-(2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-8-methyl-6,7-dihydropyrimido[1,2-b]pyridazin-4-one
CID 168999148
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-(5-methoxy-3-pyridinyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-8-methyl-2-(trifluoromethyl)pyrimido[1,2-b]pyridazin-4-one
CID 176263496

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cc(C)c(-c2cnc3c(c2)CN(C2Nn4c(nc(C(F)F)cc4=O)C(C)=C2C)CC3)cn1.
What is the InChIKey of 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?
The InChIKey is IHADTXUZASYMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F2N6O2/c1-13-7-21(35-4)29-11-18(13)16-8-17-12-32(6-5-19(17)28-10-16)25-15(3)14(2)24-30-20(23(26)27)9-22(34)33(24)31-25/h7-11,23,25,31H,5-6,12H2,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 480.52 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 168998934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).