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

C26H28F2N6O2 — CID 168999184

About 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

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 (PubChem CID 168999184) has the molecular formula C26H28F2N6O2 and a molecular weight of 494.55 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 168999184
• Molecular Formula: C26H28F2N6O2
• Molecular Weight: 494.55 g/mol
• Exact Mass: 494.22
• IUPAC Name: 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
• SMILES: CCc1cc(-c2cnc3c(c2)CN(C2Nn4c(nc(C(F)F)cc4=O)C(C)=C2C)CC3)cnc1OC
• InChI: InChI=1S/C26H28F2N6O2/c1-5-16-8-17(12-30-26(16)36-4)18-9-19-13-33(7-6-20(19)29-11-18)25-15(3)14(2)24-31-21(23(27)28)10-22(35)34(24)32-25/h8-12,23,25,32H,5-7,13H2,1-4H3
• InChIKey: DFHDSWSPJXUWIG-UHFFFAOYSA-N
• XLogP: 3.94
• TPSA: 85.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	494.55
LogP ≤ 5	3.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CCc1cc(-c2cnc3c(c2)CN(C2Nn4c(nc(C(F)F)cc4=O)C(C)=C2C)CC3)cnc1OC.

What is the InChIKey of 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?

The InChIKey is DFHDSWSPJXUWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F2N6O2/c1-5-16-8-17(12-30-26(16)36-4)18-9-19-13-33(7-6-20(19)29-11-18)25-15(3)14(2)24-31-21(23(27)28)10-22(35)34(24)32-25/h8-12,23,25,32H,5-7,13H2,1-4H3.

What are the key properties of 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?

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 has a molecular weight of 494.55 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 168999184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).