2-(difluoromethyl)-7-[3-[6-(dimethylamino)-3-pyridinyl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-8,9-dimethyl-6,7-dihydropyrimido[1,2-b]pyridazin-4-one

C25H27F2N7O — CID 168998789

IUPAC2-(difluoromethyl)-7-[3-[6-(dimethylamino)-3-pyridinyl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-8,9-dimethyl-6,7-dihydropyrimido[1,2-b]pyridazin-4-one
SMILESCC1=C(C)C(N2CCc3ncc(-c4ccc(N(C)C)nc4)cc3C2)Nn2c1nc(C(F)F)cc2=O
InChIInChI=1S/C25H27F2N7O/c1-14-15(2)25(31-34-22(35)10-20(23(26)27)30-24(14)34)33-8-7-19-18(13-33)9-17(12-28-19)16-5-6-21(29-11-16)32(3)4/h5-6,9-12,23,25,31H,7-8,13H2,1-4H3
InChIKeyXPPYFQODFHSDFM-UHFFFAOYSA-N
MW479.54 g/mol
LogP3.44
Rot. Bonds4

About 2-(difluoromethyl)-7-[3-[6-(dimethylamino)-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-(dimethylamino)-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 168998789) has the molecular formula C25H27F2N7O and a molecular weight of 479.54 g/mol. Its IUPAC name is 2-(difluoromethyl)-7-[3-[6-(dimethylamino)-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-(dimethylamino)-3-pyridinyl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-8,9-dimethyl-6,7-dihydropyrimido[1,2-b]pyridazin-4-one
PubChem CID168998789
Molecular FormulaC25H27F2N7O
Molecular Weight479.54 g/mol
Exact Mass479.22
IUPAC Name2-(difluoromethyl)-7-[3-[6-(dimethylamino)-3-pyridinyl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-8,9-dimethyl-6,7-dihydropyrimido[1,2-b]pyridazin-4-one
SMILESCC1=C(C)C(N2CCc3ncc(-c4ccc(N(C)C)nc4)cc3C2)Nn2c1nc(C(F)F)cc2=O
InChIInChI=1S/C25H27F2N7O/c1-14-15(2)25(31-34-22(35)10-20(23(26)27)30-24(14)34)33-8-7-19-18(13-33)9-17(12-28-19)16-5-6-21(29-11-16)32(3)4/h5-6,9-12,23,25,31H,7-8,13H2,1-4H3
InChIKeyXPPYFQODFHSDFM-UHFFFAOYSA-N
XLogP3.44
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.54
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-(difluoromethyl)-7-[3-[6-(dimethylamino)-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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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-7-[3-[6-(dimethylamino)-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-(dimethylamino)-3-pyridinyl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-8,9-dimethyl-6,7-dihydropyrimido[1,2-b]pyridazin-4-one (CID 168998789) is 2-(difluoromethyl)-7-[3-[6-(dimethylamino)-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-(dimethylamino)-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-(dimethylamino)-3-pyridinyl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-8,9-dimethyl-6,7-dihydropyrimido[1,2-b]pyridazin-4-one is CC1=C(C)C(N2CCc3ncc(-c4ccc(N(C)C)nc4)cc3C2)Nn2c1nc(C(F)F)cc2=O.
What is the InChIKey of 2-(difluoromethyl)-7-[3-[6-(dimethylamino)-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 XPPYFQODFHSDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F2N7O/c1-14-15(2)25(31-34-22(35)10-20(23(26)27)30-24(14)34)33-8-7-19-18(13-33)9-17(12-28-19)16-5-6-21(29-11-16)32(3)4/h5-6,9-12,23,25,31H,7-8,13H2,1-4H3.
What are the key properties of 2-(difluoromethyl)-7-[3-[6-(dimethylamino)-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-(dimethylamino)-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 479.54 g/mol, XLogP of 3.44, 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-(dimethylamino)-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 168998789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).