2-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(2-ethyl-1,3-thiazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(2-methylsulfanylethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(oxetan-3-ylmethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-[2-(trifluoromethoxy)ethoxy]pyrimidin-5-yl]pyridazin-3-one;2-(1H-inden-5-ylmethyl)-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-methylphenyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one

C126H106F18N30O16S3 — CID 161405097

IUPAC2-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(2-ethyl-1,3-thiazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(2-methylsulfanylethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(oxetan-3-ylmethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-[2-(trifluoromethoxy)ethoxy]pyrimidin-5-yl]pyridazin-3-one;2-(1H-inden-5-ylmethyl)-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-methylphenyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one
SMILESCCc1ncc(Cn2nc(-c3cnc(OCC(F)(F)F)nc3)ccc2=O)s1.CSCCOc1ncc(-c2ccc(=O)n(Cc3cccc(F)c3)n2)cn1.Cc1cccc(Cn2nc(-c3cnc(OCC(F)(F)F)nc3)ccc2=O)c1.O=c1ccc(-c2cnc(OCC(F)(F)F)nc2)nn1Cc1ccc2c(c1)C=CC2.O=c1ccc(-c2cnc(OCC(F)(F)F)nc2)nn1Cc1cnc(C2CC2)s1.O=c1ccc(-c2cnc(OCC3COC3)nc2)nn1Cc1cccc(F)c1.O=c1ccc(-c2cnc(OCCOC(F)(F)F)nc2)nn1Cc1cccc(F)c1
InChIInChI=1S/C20H15F3N4O2.C19H17FN4O3.C18H14F4N4O3.C18H15F3N4O2.C18H17FN4O2S.C17H14F3N5O2S.C16H14F3N5O2S/c21-20(22,23)12-29-19-24-9-16(10-25-19)17-6-7-18(28)27(26-17)11-13-4-5-14-2-1-3-15(14)8-13;20-16-3-1-2-13(6-16)9-24-18(25)5-4-17(23-24)15-7-21-19(22-8-15)27-12-14-10-26-11-14;19-14-3-1-2-12(8-14)11-26-16(27)5-4-15(25-26)13-9-23-17(24-10-13)28-6-7-29-18(20,21)22;1-12-3-2-4-13(7-12)10-25-16(26)6-5-15(24-25)14-8-22-17(23-9-14)27-11-18(19,20)21;1-26-8-7-25-18-20-10-14(11-21-18)16-5-6-17(24)23(22-16)12-13-3-2-4-15(19)9-13;18-17(19,20)9-27-16-22-5-11(6-23-16)13-3-4-14(26)25(24-13)8-12-7-21-15(28-12)10-1-2-10;1-2-13-20-7-11(27-13)8-24-14(25)4-3-12(23-24)10-5-21-15(22-6-10)26-9-16(17,18)19/h1,3-10H,2,11-12H2;1-8,14H,9-12H2;1-5,8-10H,6-7,11H2;2-9H,10-11H2,1H3;2-6,9-11H,7-8,12H2,1H3;3-7,10H,1-2,8-9H2;3-7H,2,8-9H2,1H3
InChIKeyVUSSLNALOGCTKS-UHFFFAOYSA-N
MW2734.59 g/mol
LogP19.33
Rot. Bonds42

About 2-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(2-ethyl-1,3-thiazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(2-methylsulfanylethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(oxetan-3-ylmethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-[2-(trifluoromethoxy)ethoxy]pyrimidin-5-yl]pyridazin-3-one;2-(1H-inden-5-ylmethyl)-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-methylphenyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one

2-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(2-ethyl-1,3-thiazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(2-methylsulfanylethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(oxetan-3-ylmethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-[2-(trifluoromethoxy)ethoxy]pyrimidin-5-yl]pyridazin-3-one;2-(1H-inden-5-ylmethyl)-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-methylphenyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one (PubChem CID 161405097) has the molecular formula C126H106F18N30O16S3 and a molecular weight of 2734.59 g/mol. Its IUPAC name is 2-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(2-ethyl-1,3-thiazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(2-methylsulfanylethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(oxetan-3-ylmethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-[2-(trifluoromethoxy)ethoxy]pyrimidin-5-yl]pyridazin-3-one;2-(1H-inden-5-ylmethyl)-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-methylphenyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one.

Molecular Properties

Compound Name2-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(2-ethyl-1,3-thiazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(2-methylsulfanylethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(oxetan-3-ylmethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-[2-(trifluoromethoxy)ethoxy]pyrimidin-5-yl]pyridazin-3-one;2-(1H-inden-5-ylmethyl)-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-methylphenyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one
PubChem CID161405097
Molecular FormulaC126H106F18N30O16S3
Molecular Weight2734.59 g/mol
Exact Mass2732.73
IUPAC Name2-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(2-ethyl-1,3-thiazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(2-methylsulfanylethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(oxetan-3-ylmethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-[2-(trifluoromethoxy)ethoxy]pyrimidin-5-yl]pyridazin-3-one;2-(1H-inden-5-ylmethyl)-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-methylphenyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one
SMILESCCc1ncc(Cn2nc(-c3cnc(OCC(F)(F)F)nc3)ccc2=O)s1.CSCCOc1ncc(-c2ccc(=O)n(Cc3cccc(F)c3)n2)cn1.Cc1cccc(Cn2nc(-c3cnc(OCC(F)(F)F)nc3)ccc2=O)c1.O=c1ccc(-c2cnc(OCC(F)(F)F)nc2)nn1Cc1ccc2c(c1)C=CC2.O=c1ccc(-c2cnc(OCC(F)(F)F)nc2)nn1Cc1cnc(C2CC2)s1.O=c1ccc(-c2cnc(OCC3COC3)nc2)nn1Cc1cccc(F)c1.O=c1ccc(-c2cnc(OCCOC(F)(F)F)nc2)nn1Cc1cccc(F)c1
InChIInChI=1S/C20H15F3N4O2.C19H17FN4O3.C18H14F4N4O3.C18H15F3N4O2.C18H17FN4O2S.C17H14F3N5O2S.C16H14F3N5O2S/c21-20(22,23)12-29-19-24-9-16(10-25-19)17-6-7-18(28)27(26-17)11-13-4-5-14-2-1-3-15(14)8-13;20-16-3-1-2-13(6-16)9-24-18(25)5-4-17(23-24)15-7-21-19(22-8-15)27-12-14-10-26-11-14;19-14-3-1-2-12(8-14)11-26-16(27)5-4-15(25-26)13-9-23-17(24-10-13)28-6-7-29-18(20,21)22;1-12-3-2-4-13(7-12)10-25-16(26)6-5-15(24-25)14-8-22-17(23-9-14)27-11-18(19,20)21;1-26-8-7-25-18-20-10-14(11-21-18)16-5-6-17(24)23(22-16)12-13-3-2-4-15(19)9-13;18-17(19,20)9-27-16-22-5-11(6-23-16)13-3-4-14(26)25(24-13)8-12-7-21-15(28-12)10-1-2-10;1-2-13-20-7-11(27-13)8-24-14(25)4-3-12(23-24)10-5-21-15(22-6-10)26-9-16(17,18)19/h1,3-10H,2,11-12H2;1-8,14H,9-12H2;1-5,8-10H,6-7,11H2;2-9H,10-11H2,1H3;2-6,9-11H,7-8,12H2,1H3;3-7,10H,1-2,8-9H2;3-7H,2,8-9H2,1H3
InChIKeyVUSSLNALOGCTKS-UHFFFAOYSA-N
XLogP19.33
TPSA533.54 Ų
H-Bond Donors
H-Bond Acceptors49
Rotatable Bonds42
Heavy Atoms193
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002734.59
LogP ≤ 519.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1049

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(2-ethyl-1,3-thiazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(2-methylsulfanylethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(oxetan-3-ylmethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-[2-(trifluoromethoxy)ethoxy]pyrimidin-5-yl]pyridazin-3-one;2-(1H-inden-5-ylmethyl)-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-methylphenyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one with MolForge

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Related Compounds

6-[2-(2,2-Difluoroethoxy)pyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;2-[[2-(difluoromethyl)-1,3-thiazol-5-yl]methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;6-[2-(2,2-dimethylpropoxy)pyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(2-methylsulfanylethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(methylsulfanylmethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(oxetan-3-ylmethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(5-fluoro-3-pyridinyl)methyl]-6-[2-(2-methylpropoxy)pyrimidin-5-yl]pyridazin-3-one;2-[[2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one
CID 157419688
6-[2-(2,2-Difluoroethoxy)pyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;2-[[2-(difluoromethyl)-1,3-thiazol-5-yl]methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;6-[2-(2,2-dimethylpropoxy)pyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;2-[(2-ethyl-1,3-thiazol-5-yl)methyl]-6-(2-propoxypyrimidin-5-yl)pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(2-methylpropoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(methylsulfanylmethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[[2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-methylsulfanylphenyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one
CID 157790565
6-[2-[(2S)-butan-2-yl]oxypyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;6-[2-(cyclobutylmethoxy)pyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;2-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;6-[2-(cyclopropylmethoxy)pyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;2-[(2-ethyl-1,3-thiazol-5-yl)methyl]-6-[2-(2-methylpropoxy)pyrimidin-5-yl]pyridazin-3-one;6-[2-(2-fluoro-2-methylpropoxy)pyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(2-methoxy-2-methylpropoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(2-methylsulfanylpropoxy)pyrimidin-5-yl]pyridazin-3-one
CID 158268334
6-[2-(2,2-Difluoropropoxy)pyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;2-[(2-ethyl-1,3-thiazol-5-yl)methyl]-6-(2-propoxypyrimidin-5-yl)pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-(2-propan-2-yloxypyrimidin-5-yl)pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(3,3,3-trifluoropropoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(6-fluoro-2-pyridinyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-methylsulfanylphenyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(2-propyl-1,3-thiazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one
CID 159100216
6-[2-[(2S)-butan-2-yl]oxypyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;6-[2-(cyclopropylmethoxy)pyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;6-[2-(2,2-difluoropropoxy)pyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-(2-propan-2-yloxypyrimidin-5-yl)pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(3,3,3-trifluoropropoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(6-fluoro-2-pyridinyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(2-propyl-1,3-thiazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one
CID 161731529
2-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;6-[2-[2-(1,1-difluoroethoxy)ethoxy]pyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;2-[(2-ethyl-1,3-thiazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-(1H-inden-5-ylmethyl)-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(5-methyl-3-pyridinyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(5-piperidin-1-yl-1,3-thiazol-2-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one
CID 161756660

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(2-ethyl-1,3-thiazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(2-methylsulfanylethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(oxetan-3-ylmethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-[2-(trifluoromethoxy)ethoxy]pyrimidin-5-yl]pyridazin-3-one;2-(1H-inden-5-ylmethyl)-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-methylphenyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one?
The IUPAC name of 2-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(2-ethyl-1,3-thiazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(2-methylsulfanylethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(oxetan-3-ylmethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-[2-(trifluoromethoxy)ethoxy]pyrimidin-5-yl]pyridazin-3-one;2-(1H-inden-5-ylmethyl)-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-methylphenyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one (CID 161405097) is 2-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(2-ethyl-1,3-thiazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(2-methylsulfanylethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(oxetan-3-ylmethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-[2-(trifluoromethoxy)ethoxy]pyrimidin-5-yl]pyridazin-3-one;2-(1H-inden-5-ylmethyl)-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-methylphenyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one.
What is the SMILES notation for 2-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(2-ethyl-1,3-thiazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(2-methylsulfanylethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(oxetan-3-ylmethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-[2-(trifluoromethoxy)ethoxy]pyrimidin-5-yl]pyridazin-3-one;2-(1H-inden-5-ylmethyl)-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-methylphenyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one?
The canonical SMILES for 2-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(2-ethyl-1,3-thiazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(2-methylsulfanylethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(oxetan-3-ylmethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-[2-(trifluoromethoxy)ethoxy]pyrimidin-5-yl]pyridazin-3-one;2-(1H-inden-5-ylmethyl)-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-methylphenyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one is CCc1ncc(Cn2nc(-c3cnc(OCC(F)(F)F)nc3)ccc2=O)s1.CSCCOc1ncc(-c2ccc(=O)n(Cc3cccc(F)c3)n2)cn1.Cc1cccc(Cn2nc(-c3cnc(OCC(F)(F)F)nc3)ccc2=O)c1.O=c1ccc(-c2cnc(OCC(F)(F)F)nc2)nn1Cc1ccc2c(c1)C=CC2.O=c1ccc(-c2cnc(OCC(F)(F)F)nc2)nn1Cc1cnc(C2CC2)s1.O=c1ccc(-c2cnc(OCC3COC3)nc2)nn1Cc1cccc(F)c1.O=c1ccc(-c2cnc(OCCOC(F)(F)F)nc2)nn1Cc1cccc(F)c1.
What is the InChIKey of 2-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(2-ethyl-1,3-thiazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(2-methylsulfanylethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(oxetan-3-ylmethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-[2-(trifluoromethoxy)ethoxy]pyrimidin-5-yl]pyridazin-3-one;2-(1H-inden-5-ylmethyl)-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-methylphenyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one?
The InChIKey is VUSSLNALOGCTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N4O2.C19H17FN4O3.C18H14F4N4O3.C18H15F3N4O2.C18H17FN4O2S.C17H14F3N5O2S.C16H14F3N5O2S/c21-20(22,23)12-29-19-24-9-16(10-25-19)17-6-7-18(28)27(26-17)11-13-4-5-14-2-1-3-15(14)8-13;20-16-3-1-2-13(6-16)9-24-18(25)5-4-17(23-24)15-7-21-19(22-8-15)27-12-14-10-26-11-14;19-14-3-1-2-12(8-14)11-26-16(27)5-4-15(25-26)13-9-23-17(24-10-13)28-6-7-29-18(20,21)22;1-12-3-2-4-13(7-12)10-25-16(26)6-5-15(24-25)14-8-22-17(23-9-14)27-11-18(19,20)21;1-26-8-7-25-18-20-10-14(11-21-18)16-5-6-17(24)23(22-16)12-13-3-2-4-15(19)9-13;18-17(19,20)9-27-16-22-5-11(6-23-16)13-3-4-14(26)25(24-13)8-12-7-21-15(28-12)10-1-2-10;1-2-13-20-7-11(27-13)8-24-14(25)4-3-12(23-24)10-5-21-15(22-6-10)26-9-16(17,18)19/h1,3-10H,2,11-12H2;1-8,14H,9-12H2;1-5,8-10H,6-7,11H2;2-9H,10-11H2,1H3;2-6,9-11H,7-8,12H2,1H3;3-7,10H,1-2,8-9H2;3-7H,2,8-9H2,1H3.
What are the key properties of 2-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(2-ethyl-1,3-thiazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(2-methylsulfanylethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(oxetan-3-ylmethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-[2-(trifluoromethoxy)ethoxy]pyrimidin-5-yl]pyridazin-3-one;2-(1H-inden-5-ylmethyl)-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-methylphenyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one?
2-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(2-ethyl-1,3-thiazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(2-methylsulfanylethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(oxetan-3-ylmethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-[2-(trifluoromethoxy)ethoxy]pyrimidin-5-yl]pyridazin-3-one;2-(1H-inden-5-ylmethyl)-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-methylphenyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one has a molecular weight of 2734.59 g/mol, XLogP of 19.33, 42 rotatable bonds, 0 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(2-ethyl-1,3-thiazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(2-methylsulfanylethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(oxetan-3-ylmethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-[2-(trifluoromethoxy)ethoxy]pyrimidin-5-yl]pyridazin-3-one;2-(1H-inden-5-ylmethyl)-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-methylphenyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one is sourced from PubChem (CID 161405097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).