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

C26H26F2N6O — CID 168998671

IUPAC7-[3-(6-cyclopropyl-3-pyridinyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-(difluoromethyl)-8,9-dimethyl-6,7-dihydropyrimido[1,2-b]pyridazin-4-one
SMILESCC1=C(C)C(N2CCc3ncc(-c4ccc(C5CC5)nc4)cc3C2)Nn2c1nc(C(F)F)cc2=O
InChIInChI=1S/C26H26F2N6O/c1-14-15(2)26(32-34-23(35)10-22(24(27)28)31-25(14)34)33-8-7-21-19(13-33)9-18(12-30-21)17-5-6-20(29-11-17)16-3-4-16/h5-6,9-12,16,24,26,32H,3-4,7-8,13H2,1-2H3
InChIKeyOHMHQCZROXVPAA-UHFFFAOYSA-N
MW476.53 g/mol
LogP4.25
Rot. Bonds4

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

7-[3-(6-cyclopropyl-3-pyridinyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-(difluoromethyl)-8,9-dimethyl-6,7-dihydropyrimido[1,2-b]pyridazin-4-one (PubChem CID 168998671) has the molecular formula C26H26F2N6O and a molecular weight of 476.53 g/mol. Its IUPAC name is 7-[3-(6-cyclopropyl-3-pyridinyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-(difluoromethyl)-8,9-dimethyl-6,7-dihydropyrimido[1,2-b]pyridazin-4-one.

Molecular Properties

Compound Name7-[3-(6-cyclopropyl-3-pyridinyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-(difluoromethyl)-8,9-dimethyl-6,7-dihydropyrimido[1,2-b]pyridazin-4-one
PubChem CID168998671
Molecular FormulaC26H26F2N6O
Molecular Weight476.53 g/mol
Exact Mass476.21
IUPAC Name7-[3-(6-cyclopropyl-3-pyridinyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-(difluoromethyl)-8,9-dimethyl-6,7-dihydropyrimido[1,2-b]pyridazin-4-one
SMILESCC1=C(C)C(N2CCc3ncc(-c4ccc(C5CC5)nc4)cc3C2)Nn2c1nc(C(F)F)cc2=O
InChIInChI=1S/C26H26F2N6O/c1-14-15(2)26(32-34-23(35)10-22(24(27)28)31-25(14)34)33-8-7-21-19(13-33)9-18(12-30-21)17-5-6-20(29-11-17)16-3-4-16/h5-6,9-12,16,24,26,32H,3-4,7-8,13H2,1-2H3
InChIKeyOHMHQCZROXVPAA-UHFFFAOYSA-N
XLogP4.25
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.53
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-[3-(6-cyclopropyl-3-pyridinyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-(difluoromethyl)-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 7-[3-(6-cyclopropyl-3-pyridinyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-(difluoromethyl)-8,9-dimethyl-6,7-dihydropyrimido[1,2-b]pyridazin-4-one?
The IUPAC name of 7-[3-(6-cyclopropyl-3-pyridinyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-(difluoromethyl)-8,9-dimethyl-6,7-dihydropyrimido[1,2-b]pyridazin-4-one (CID 168998671) is 7-[3-(6-cyclopropyl-3-pyridinyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-(difluoromethyl)-8,9-dimethyl-6,7-dihydropyrimido[1,2-b]pyridazin-4-one.
What is the SMILES notation for 7-[3-(6-cyclopropyl-3-pyridinyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-(difluoromethyl)-8,9-dimethyl-6,7-dihydropyrimido[1,2-b]pyridazin-4-one?
The canonical SMILES for 7-[3-(6-cyclopropyl-3-pyridinyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-(difluoromethyl)-8,9-dimethyl-6,7-dihydropyrimido[1,2-b]pyridazin-4-one is CC1=C(C)C(N2CCc3ncc(-c4ccc(C5CC5)nc4)cc3C2)Nn2c1nc(C(F)F)cc2=O.
What is the InChIKey of 7-[3-(6-cyclopropyl-3-pyridinyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-(difluoromethyl)-8,9-dimethyl-6,7-dihydropyrimido[1,2-b]pyridazin-4-one?
The InChIKey is OHMHQCZROXVPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F2N6O/c1-14-15(2)26(32-34-23(35)10-22(24(27)28)31-25(14)34)33-8-7-21-19(13-33)9-18(12-30-21)17-5-6-20(29-11-17)16-3-4-16/h5-6,9-12,16,24,26,32H,3-4,7-8,13H2,1-2H3.
What are the key properties of 7-[3-(6-cyclopropyl-3-pyridinyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-(difluoromethyl)-8,9-dimethyl-6,7-dihydropyrimido[1,2-b]pyridazin-4-one?
7-[3-(6-cyclopropyl-3-pyridinyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-(difluoromethyl)-8,9-dimethyl-6,7-dihydropyrimido[1,2-b]pyridazin-4-one has a molecular weight of 476.53 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(6-cyclopropyl-3-pyridinyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-(difluoromethyl)-8,9-dimethyl-6,7-dihydropyrimido[1,2-b]pyridazin-4-one is sourced from PubChem (CID 168998671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).