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

C24H23F2N7O2 — CID 168999148

IUPAC2-(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
SMILESCC1=Cc2nc(C(F)F)cc(=O)n2NC1N1CCc2ncc(N3CCOc4ncccc43)cc2C1
InChIInChI=1S/C24H23F2N7O2/c1-14-9-20-29-18(22(25)26)11-21(34)33(20)30-23(14)31-6-4-17-15(13-31)10-16(12-28-17)32-7-8-35-24-19(32)3-2-5-27-24/h2-3,5,9-12,22-23,30H,4,6-8,13H2,1H3
InChIKeyGAEDOBIVLBPZPN-UHFFFAOYSA-N
MW479.49 g/mol
LogP2.85
Rot. Bonds3

About 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

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 (PubChem CID 168999148) has the molecular formula C24H23F2N7O2 and a molecular weight of 479.49 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID168999148
Molecular FormulaC24H23F2N7O2
Molecular Weight479.49 g/mol
Exact Mass479.19
IUPAC Name2-(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
SMILESCC1=Cc2nc(C(F)F)cc(=O)n2NC1N1CCc2ncc(N3CCOc4ncccc43)cc2C1
InChIInChI=1S/C24H23F2N7O2/c1-14-9-20-29-18(22(25)26)11-21(34)33(20)30-23(14)31-6-4-17-15(13-31)10-16(12-28-17)32-7-8-35-24-19(32)3-2-5-27-24/h2-3,5,9-12,22-23,30H,4,6-8,13H2,1H3
InChIKeyGAEDOBIVLBPZPN-UHFFFAOYSA-N
XLogP2.85
TPSA88.41 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.49
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1=Cc2nc(C(F)F)cc(=O)n2NC1N1CCc2ncc(N3CCOc4ncccc43)cc2C1.
What is the InChIKey of 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?
The InChIKey is GAEDOBIVLBPZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N7O2/c1-14-9-20-29-18(22(25)26)11-21(34)33(20)30-23(14)31-6-4-17-15(13-31)10-16(12-28-17)32-7-8-35-24-19(32)3-2-5-27-24/h2-3,5,9-12,22-23,30H,4,6-8,13H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 479.49 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 168999148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).