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

C22H21F2N7O — CID 168998806

IUPAC2-(difluoromethyl)-8,9-dimethyl-7-(3-pyrazin-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-6,7-dihydropyrimido[1,2-b]pyridazin-4-one
SMILESCC1=C(C)C(N2CCc3ncc(-c4cnccn4)cc3C2)Nn2c1nc(C(F)F)cc2=O
InChIInChI=1S/C22H21F2N7O/c1-12-13(2)22(29-31-19(32)8-17(20(23)24)28-21(12)31)30-6-3-16-15(11-30)7-14(9-27-16)18-10-25-4-5-26-18/h4-5,7-10,20,22,29H,3,6,11H2,1-2H3
InChIKeyROEILQFRRSGABA-UHFFFAOYSA-N
MW437.45 g/mol
LogP2.77
Rot. Bonds3

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

2-(difluoromethyl)-8,9-dimethyl-7-(3-pyrazin-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-6,7-dihydropyrimido[1,2-b]pyridazin-4-one (PubChem CID 168998806) has the molecular formula C22H21F2N7O and a molecular weight of 437.45 g/mol. Its IUPAC name is 2-(difluoromethyl)-8,9-dimethyl-7-(3-pyrazin-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-6,7-dihydropyrimido[1,2-b]pyridazin-4-one.

Molecular Properties

Compound Name2-(difluoromethyl)-8,9-dimethyl-7-(3-pyrazin-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-6,7-dihydropyrimido[1,2-b]pyridazin-4-one
PubChem CID168998806
Molecular FormulaC22H21F2N7O
Molecular Weight437.45 g/mol
Exact Mass437.18
IUPAC Name2-(difluoromethyl)-8,9-dimethyl-7-(3-pyrazin-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-6,7-dihydropyrimido[1,2-b]pyridazin-4-one
SMILESCC1=C(C)C(N2CCc3ncc(-c4cnccn4)cc3C2)Nn2c1nc(C(F)F)cc2=O
InChIInChI=1S/C22H21F2N7O/c1-12-13(2)22(29-31-19(32)8-17(20(23)24)28-21(12)31)30-6-3-16-15(11-30)7-14(9-27-16)18-10-25-4-5-26-18/h4-5,7-10,20,22,29H,3,6,11H2,1-2H3
InChIKeyROEILQFRRSGABA-UHFFFAOYSA-N
XLogP2.77
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.45
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-(difluoromethyl)-8,9-dimethyl-7-(3-pyrazin-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-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)-8,9-dimethyl-7-(3-pyrazin-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-6,7-dihydropyrimido[1,2-b]pyridazin-4-one?
The IUPAC name of 2-(difluoromethyl)-8,9-dimethyl-7-(3-pyrazin-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-6,7-dihydropyrimido[1,2-b]pyridazin-4-one (CID 168998806) is 2-(difluoromethyl)-8,9-dimethyl-7-(3-pyrazin-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-6,7-dihydropyrimido[1,2-b]pyridazin-4-one.
What is the SMILES notation for 2-(difluoromethyl)-8,9-dimethyl-7-(3-pyrazin-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-6,7-dihydropyrimido[1,2-b]pyridazin-4-one?
The canonical SMILES for 2-(difluoromethyl)-8,9-dimethyl-7-(3-pyrazin-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-6,7-dihydropyrimido[1,2-b]pyridazin-4-one is CC1=C(C)C(N2CCc3ncc(-c4cnccn4)cc3C2)Nn2c1nc(C(F)F)cc2=O.
What is the InChIKey of 2-(difluoromethyl)-8,9-dimethyl-7-(3-pyrazin-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-6,7-dihydropyrimido[1,2-b]pyridazin-4-one?
The InChIKey is ROEILQFRRSGABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2N7O/c1-12-13(2)22(29-31-19(32)8-17(20(23)24)28-21(12)31)30-6-3-16-15(11-30)7-14(9-27-16)18-10-25-4-5-26-18/h4-5,7-10,20,22,29H,3,6,11H2,1-2H3.
What are the key properties of 2-(difluoromethyl)-8,9-dimethyl-7-(3-pyrazin-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-6,7-dihydropyrimido[1,2-b]pyridazin-4-one?
2-(difluoromethyl)-8,9-dimethyl-7-(3-pyrazin-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-6,7-dihydropyrimido[1,2-b]pyridazin-4-one has a molecular weight of 437.45 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-8,9-dimethyl-7-(3-pyrazin-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-6,7-dihydropyrimido[1,2-b]pyridazin-4-one is sourced from PubChem (CID 168998806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).