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

C24H24F2N6O2 — CID 168999046

IUPAC2-(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
SMILESCOc1cncc(-c2cnc3c(c2)CN(C2Nn4c(nc(C(F)F)cc4=O)C(C)=C2C)CC3)c1
InChIInChI=1S/C24H24F2N6O2/c1-13-14(2)24(30-32-21(33)8-20(22(25)26)29-23(13)32)31-5-4-19-17(12-31)6-15(10-28-19)16-7-18(34-3)11-27-9-16/h6-11,22,24,30H,4-5,12H2,1-3H3
InChIKeyWDLQTHOHQRUNLS-UHFFFAOYSA-N
MW466.49 g/mol
LogP3.38
Rot. Bonds4

About 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

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 (PubChem CID 168999046) has the molecular formula C24H24F2N6O2 and a molecular weight of 466.49 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID168999046
Molecular FormulaC24H24F2N6O2
Molecular Weight466.49 g/mol
Exact Mass466.19
IUPAC Name2-(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
SMILESCOc1cncc(-c2cnc3c(c2)CN(C2Nn4c(nc(C(F)F)cc4=O)C(C)=C2C)CC3)c1
InChIInChI=1S/C24H24F2N6O2/c1-13-14(2)24(30-32-21(33)8-20(22(25)26)29-23(13)32)31-5-4-19-17(12-31)6-15(10-28-19)16-7-18(34-3)11-27-9-16/h6-11,22,24,30H,4-5,12H2,1-3H3
InChIKeyWDLQTHOHQRUNLS-UHFFFAOYSA-N
XLogP3.38
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.49
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cncc(-c2cnc3c(c2)CN(C2Nn4c(nc(C(F)F)cc4=O)C(C)=C2C)CC3)c1.
What is the InChIKey of 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?
The InChIKey is WDLQTHOHQRUNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N6O2/c1-13-14(2)24(30-32-21(33)8-20(22(25)26)29-23(13)32)31-5-4-19-17(12-31)6-15(10-28-19)16-7-18(34-3)11-27-9-16/h6-11,22,24,30H,4-5,12H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 466.49 g/mol, XLogP of 3.38, 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-(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 is sourced from PubChem (CID 168999046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).