6-[2-(difluoromethoxy)pyrimidin-5-yl]-2-[(3-fluoro-4-methylphenyl)methyl]pyridazin-3-one;2-[(2-fluoro-4-methylphenyl)methyl]-6-[2-(2-methylpyrrolidin-1-yl)pyrimidin-5-yl]pyridazin-3-one;6-(6-methoxy-3-pyridinyl)-2-[(4-methylphenyl)methyl]pyridazin-3-one;2-[(4-methylphenyl)methyl]-6-[2-[3-(trifluoromethoxy)azetidin-1-yl]pyrimidin-5-yl]pyridazin-3-one

C76H70F7N17O7 — CID 160666464

IUPAC6-[2-(difluoromethoxy)pyrimidin-5-yl]-2-[(3-fluoro-4-methylphenyl)methyl]pyridazin-3-one;2-[(2-fluoro-4-methylphenyl)methyl]-6-[2-(2-methylpyrrolidin-1-yl)pyrimidin-5-yl]pyridazin-3-one;6-(6-methoxy-3-pyridinyl)-2-[(4-methylphenyl)methyl]pyridazin-3-one;2-[(4-methylphenyl)methyl]-6-[2-[3-(trifluoromethoxy)azetidin-1-yl]pyrimidin-5-yl]pyridazin-3-one
SMILESCOc1ccc(-c2ccc(=O)n(Cc3ccc(C)cc3)n2)cn1.Cc1ccc(Cn2nc(-c3cnc(N4CC(OC(F)(F)F)C4)nc3)ccc2=O)cc1.Cc1ccc(Cn2nc(-c3cnc(N4CCCC4C)nc3)ccc2=O)c(F)c1.Cc1ccc(Cn2nc(-c3cnc(OC(F)F)nc3)ccc2=O)cc1F
InChIInChI=1S/C21H22FN5O.C20H18F3N5O2.C18H17N3O2.C17H13F3N4O2/c1-14-5-6-16(18(22)10-14)13-27-20(28)8-7-19(25-27)17-11-23-21(24-12-17)26-9-3-4-15(26)2;1-13-2-4-14(5-3-13)10-28-18(29)7-6-17(26-28)15-8-24-19(25-9-15)27-11-16(12-27)30-20(21,22)23;1-13-3-5-14(6-4-13)12-21-18(22)10-8-16(20-21)15-7-9-17(23-2)19-11-15;1-10-2-3-11(6-13(10)18)9-24-15(25)5-4-14(23-24)12-7-21-17(22-8-12)26-16(19)20/h5-8,10-12,15H,3-4,9,13H2,1-2H3;2-9,16H,10-12H2,1H3;3-11H,12H2,1-2H3;2-8,16H,9H2,1H3
InChIKeyRMJDELJUGFIKKE-UHFFFAOYSA-N
MW1466.49 g/mol
LogP11.43
Rot. Bonds18

About 6-[2-(difluoromethoxy)pyrimidin-5-yl]-2-[(3-fluoro-4-methylphenyl)methyl]pyridazin-3-one;2-[(2-fluoro-4-methylphenyl)methyl]-6-[2-(2-methylpyrrolidin-1-yl)pyrimidin-5-yl]pyridazin-3-one;6-(6-methoxy-3-pyridinyl)-2-[(4-methylphenyl)methyl]pyridazin-3-one;2-[(4-methylphenyl)methyl]-6-[2-[3-(trifluoromethoxy)azetidin-1-yl]pyrimidin-5-yl]pyridazin-3-one

6-[2-(difluoromethoxy)pyrimidin-5-yl]-2-[(3-fluoro-4-methylphenyl)methyl]pyridazin-3-one;2-[(2-fluoro-4-methylphenyl)methyl]-6-[2-(2-methylpyrrolidin-1-yl)pyrimidin-5-yl]pyridazin-3-one;6-(6-methoxy-3-pyridinyl)-2-[(4-methylphenyl)methyl]pyridazin-3-one;2-[(4-methylphenyl)methyl]-6-[2-[3-(trifluoromethoxy)azetidin-1-yl]pyrimidin-5-yl]pyridazin-3-one (PubChem CID 160666464) has the molecular formula C76H70F7N17O7 and a molecular weight of 1466.49 g/mol. Its IUPAC name is 6-[2-(difluoromethoxy)pyrimidin-5-yl]-2-[(3-fluoro-4-methylphenyl)methyl]pyridazin-3-one;2-[(2-fluoro-4-methylphenyl)methyl]-6-[2-(2-methylpyrrolidin-1-yl)pyrimidin-5-yl]pyridazin-3-one;6-(6-methoxy-3-pyridinyl)-2-[(4-methylphenyl)methyl]pyridazin-3-one;2-[(4-methylphenyl)methyl]-6-[2-[3-(trifluoromethoxy)azetidin-1-yl]pyrimidin-5-yl]pyridazin-3-one.

Molecular Properties

Compound Name6-[2-(difluoromethoxy)pyrimidin-5-yl]-2-[(3-fluoro-4-methylphenyl)methyl]pyridazin-3-one;2-[(2-fluoro-4-methylphenyl)methyl]-6-[2-(2-methylpyrrolidin-1-yl)pyrimidin-5-yl]pyridazin-3-one;6-(6-methoxy-3-pyridinyl)-2-[(4-methylphenyl)methyl]pyridazin-3-one;2-[(4-methylphenyl)methyl]-6-[2-[3-(trifluoromethoxy)azetidin-1-yl]pyrimidin-5-yl]pyridazin-3-one
PubChem CID160666464
Molecular FormulaC76H70F7N17O7
Molecular Weight1466.49 g/mol
Exact Mass1465.55
IUPAC Name6-[2-(difluoromethoxy)pyrimidin-5-yl]-2-[(3-fluoro-4-methylphenyl)methyl]pyridazin-3-one;2-[(2-fluoro-4-methylphenyl)methyl]-6-[2-(2-methylpyrrolidin-1-yl)pyrimidin-5-yl]pyridazin-3-one;6-(6-methoxy-3-pyridinyl)-2-[(4-methylphenyl)methyl]pyridazin-3-one;2-[(4-methylphenyl)methyl]-6-[2-[3-(trifluoromethoxy)azetidin-1-yl]pyrimidin-5-yl]pyridazin-3-one
SMILESCOc1ccc(-c2ccc(=O)n(Cc3ccc(C)cc3)n2)cn1.Cc1ccc(Cn2nc(-c3cnc(N4CC(OC(F)(F)F)C4)nc3)ccc2=O)cc1.Cc1ccc(Cn2nc(-c3cnc(N4CCCC4C)nc3)ccc2=O)c(F)c1.Cc1ccc(Cn2nc(-c3cnc(OC(F)F)nc3)ccc2=O)cc1F
InChIInChI=1S/C21H22FN5O.C20H18F3N5O2.C18H17N3O2.C17H13F3N4O2/c1-14-5-6-16(18(22)10-14)13-27-20(28)8-7-19(25-27)17-11-23-21(24-12-17)26-9-3-4-15(26)2;1-13-2-4-14(5-3-13)10-28-18(29)7-6-17(26-28)15-8-24-19(25-9-15)27-11-16(12-27)30-20(21,22)23;1-13-3-5-14(6-4-13)12-21-18(22)10-8-16(20-21)15-7-9-17(23-2)19-11-15;1-10-2-3-11(6-13(10)18)9-24-15(25)5-4-14(23-24)12-7-21-17(22-8-12)26-16(19)20/h5-8,10-12,15H,3-4,9,13H2,1-2H3;2-9,16H,10-12H2,1H3;3-11H,12H2,1-2H3;2-8,16H,9H2,1H3
InChIKeyRMJDELJUGFIKKE-UHFFFAOYSA-N
XLogP11.43
TPSA263.96 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds18
Heavy Atoms107
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001466.49
LogP ≤ 511.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze 6-[2-(difluoromethoxy)pyrimidin-5-yl]-2-[(3-fluoro-4-methylphenyl)methyl]pyridazin-3-one;2-[(2-fluoro-4-methylphenyl)methyl]-6-[2-(2-methylpyrrolidin-1-yl)pyrimidin-5-yl]pyridazin-3-one;6-(6-methoxy-3-pyridinyl)-2-[(4-methylphenyl)methyl]pyridazin-3-one;2-[(4-methylphenyl)methyl]-6-[2-[3-(trifluoromethoxy)azetidin-1-yl]pyrimidin-5-yl]pyridazin-3-one with MolForge

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Related Compounds

2-Benzyl-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-chlorophenyl)methyl]-6-[6-(difluoromethoxy)-3-pyridinyl]pyridazin-3-one;2-[(3-chlorophenyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(6-methyl-3-pyridinyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one
CID 158889445
2-[[6-(1,1-Difluoroethyl)-3-pyridinyl]methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[[6-(1-fluoroethoxy)-3-pyridinyl]methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(6-methyl-3-pyridinyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one
CID 159690635
6-[2-(6,6-Difluoro-2-azaspiro[3.3]heptan-2-yl)pyrimidin-5-yl]-2-[(4-methylphenyl)methyl]pyridazin-3-one;6-[2-(methylamino)pyrimidin-5-yl]-2-[(4-methylphenyl)methyl]pyridazin-3-one;2-[(4-methylphenyl)methyl]-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridazin-3-one;2-[(4-methylphenyl)methyl]-6-[2-(trifluoromethoxy)pyrimidin-5-yl]pyridazin-3-one
CID 160602789
6-[6-(Difluoromethoxy)-3-pyridinyl]-2-[(4-fluoro-3-methylphenyl)methyl]pyridazin-3-one;6-[6-(difluoromethoxy)-3-pyridinyl]-2-[(4-methylphenyl)methyl]pyridazin-3-one;6-[6-[(3-fluorooxetan-3-yl)methoxy]-3-pyridinyl]-2-[(4-methylphenyl)methyl]pyridazin-3-one;6-[2-[(3-fluorooxetan-3-yl)methoxy]pyrimidin-5-yl]-2-[(4-methylphenyl)methyl]pyridazin-3-one
CID 157968904

Frequently Asked Questions

What is the IUPAC name of 6-[2-(difluoromethoxy)pyrimidin-5-yl]-2-[(3-fluoro-4-methylphenyl)methyl]pyridazin-3-one;2-[(2-fluoro-4-methylphenyl)methyl]-6-[2-(2-methylpyrrolidin-1-yl)pyrimidin-5-yl]pyridazin-3-one;6-(6-methoxy-3-pyridinyl)-2-[(4-methylphenyl)methyl]pyridazin-3-one;2-[(4-methylphenyl)methyl]-6-[2-[3-(trifluoromethoxy)azetidin-1-yl]pyrimidin-5-yl]pyridazin-3-one?
The IUPAC name of 6-[2-(difluoromethoxy)pyrimidin-5-yl]-2-[(3-fluoro-4-methylphenyl)methyl]pyridazin-3-one;2-[(2-fluoro-4-methylphenyl)methyl]-6-[2-(2-methylpyrrolidin-1-yl)pyrimidin-5-yl]pyridazin-3-one;6-(6-methoxy-3-pyridinyl)-2-[(4-methylphenyl)methyl]pyridazin-3-one;2-[(4-methylphenyl)methyl]-6-[2-[3-(trifluoromethoxy)azetidin-1-yl]pyrimidin-5-yl]pyridazin-3-one (CID 160666464) is 6-[2-(difluoromethoxy)pyrimidin-5-yl]-2-[(3-fluoro-4-methylphenyl)methyl]pyridazin-3-one;2-[(2-fluoro-4-methylphenyl)methyl]-6-[2-(2-methylpyrrolidin-1-yl)pyrimidin-5-yl]pyridazin-3-one;6-(6-methoxy-3-pyridinyl)-2-[(4-methylphenyl)methyl]pyridazin-3-one;2-[(4-methylphenyl)methyl]-6-[2-[3-(trifluoromethoxy)azetidin-1-yl]pyrimidin-5-yl]pyridazin-3-one.
What is the SMILES notation for 6-[2-(difluoromethoxy)pyrimidin-5-yl]-2-[(3-fluoro-4-methylphenyl)methyl]pyridazin-3-one;2-[(2-fluoro-4-methylphenyl)methyl]-6-[2-(2-methylpyrrolidin-1-yl)pyrimidin-5-yl]pyridazin-3-one;6-(6-methoxy-3-pyridinyl)-2-[(4-methylphenyl)methyl]pyridazin-3-one;2-[(4-methylphenyl)methyl]-6-[2-[3-(trifluoromethoxy)azetidin-1-yl]pyrimidin-5-yl]pyridazin-3-one?
The canonical SMILES for 6-[2-(difluoromethoxy)pyrimidin-5-yl]-2-[(3-fluoro-4-methylphenyl)methyl]pyridazin-3-one;2-[(2-fluoro-4-methylphenyl)methyl]-6-[2-(2-methylpyrrolidin-1-yl)pyrimidin-5-yl]pyridazin-3-one;6-(6-methoxy-3-pyridinyl)-2-[(4-methylphenyl)methyl]pyridazin-3-one;2-[(4-methylphenyl)methyl]-6-[2-[3-(trifluoromethoxy)azetidin-1-yl]pyrimidin-5-yl]pyridazin-3-one is COc1ccc(-c2ccc(=O)n(Cc3ccc(C)cc3)n2)cn1.Cc1ccc(Cn2nc(-c3cnc(N4CC(OC(F)(F)F)C4)nc3)ccc2=O)cc1.Cc1ccc(Cn2nc(-c3cnc(N4CCCC4C)nc3)ccc2=O)c(F)c1.Cc1ccc(Cn2nc(-c3cnc(OC(F)F)nc3)ccc2=O)cc1F.
What is the InChIKey of 6-[2-(difluoromethoxy)pyrimidin-5-yl]-2-[(3-fluoro-4-methylphenyl)methyl]pyridazin-3-one;2-[(2-fluoro-4-methylphenyl)methyl]-6-[2-(2-methylpyrrolidin-1-yl)pyrimidin-5-yl]pyridazin-3-one;6-(6-methoxy-3-pyridinyl)-2-[(4-methylphenyl)methyl]pyridazin-3-one;2-[(4-methylphenyl)methyl]-6-[2-[3-(trifluoromethoxy)azetidin-1-yl]pyrimidin-5-yl]pyridazin-3-one?
The InChIKey is RMJDELJUGFIKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O.C20H18F3N5O2.C18H17N3O2.C17H13F3N4O2/c1-14-5-6-16(18(22)10-14)13-27-20(28)8-7-19(25-27)17-11-23-21(24-12-17)26-9-3-4-15(26)2;1-13-2-4-14(5-3-13)10-28-18(29)7-6-17(26-28)15-8-24-19(25-9-15)27-11-16(12-27)30-20(21,22)23;1-13-3-5-14(6-4-13)12-21-18(22)10-8-16(20-21)15-7-9-17(23-2)19-11-15;1-10-2-3-11(6-13(10)18)9-24-15(25)5-4-14(23-24)12-7-21-17(22-8-12)26-16(19)20/h5-8,10-12,15H,3-4,9,13H2,1-2H3;2-9,16H,10-12H2,1H3;3-11H,12H2,1-2H3;2-8,16H,9H2,1H3.
What are the key properties of 6-[2-(difluoromethoxy)pyrimidin-5-yl]-2-[(3-fluoro-4-methylphenyl)methyl]pyridazin-3-one;2-[(2-fluoro-4-methylphenyl)methyl]-6-[2-(2-methylpyrrolidin-1-yl)pyrimidin-5-yl]pyridazin-3-one;6-(6-methoxy-3-pyridinyl)-2-[(4-methylphenyl)methyl]pyridazin-3-one;2-[(4-methylphenyl)methyl]-6-[2-[3-(trifluoromethoxy)azetidin-1-yl]pyrimidin-5-yl]pyridazin-3-one?
6-[2-(difluoromethoxy)pyrimidin-5-yl]-2-[(3-fluoro-4-methylphenyl)methyl]pyridazin-3-one;2-[(2-fluoro-4-methylphenyl)methyl]-6-[2-(2-methylpyrrolidin-1-yl)pyrimidin-5-yl]pyridazin-3-one;6-(6-methoxy-3-pyridinyl)-2-[(4-methylphenyl)methyl]pyridazin-3-one;2-[(4-methylphenyl)methyl]-6-[2-[3-(trifluoromethoxy)azetidin-1-yl]pyrimidin-5-yl]pyridazin-3-one has a molecular weight of 1466.49 g/mol, XLogP of 11.43, 18 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(difluoromethoxy)pyrimidin-5-yl]-2-[(3-fluoro-4-methylphenyl)methyl]pyridazin-3-one;2-[(2-fluoro-4-methylphenyl)methyl]-6-[2-(2-methylpyrrolidin-1-yl)pyrimidin-5-yl]pyridazin-3-one;6-(6-methoxy-3-pyridinyl)-2-[(4-methylphenyl)methyl]pyridazin-3-one;2-[(4-methylphenyl)methyl]-6-[2-[3-(trifluoromethoxy)azetidin-1-yl]pyrimidin-5-yl]pyridazin-3-one is sourced from PubChem (CID 160666464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).