3-bromo-N-[6-[3-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;2-(diethylamino)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-4-carboxamide;2-(dimethylamino)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-4-carboxamide;1-[(2-ethoxyphenyl)methyl]-3-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]urea;3-(6-fluoro-3-pyridinyl)-N-[6-[3-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-(methylsulfamoyl)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide

C133H101BrF19N39O9S3 — CID 158016110

IUPAC3-bromo-N-[6-[3-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;2-(diethylamino)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-4-carboxamide;2-(dimethylamino)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-4-carboxamide;1-[(2-ethoxyphenyl)methyl]-3-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]urea;3-(6-fluoro-3-pyridinyl)-N-[6-[3-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-(methylsulfamoyl)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide
SMILESCCN(CC)c1cc(C(=O)Nc2ccc(-n3nc(-c4cccnc4)cc3C(F)(F)F)cn2)ccn1.CCOc1ccccc1CNC(=O)Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cn1.CN(C)c1cc(C(=O)Nc2ccc(-n3nc(-c4cccnc4)cc3C(F)(F)F)cn2)ccn1.CNS(=O)(=O)c1cccc(C(=O)Nc2ccc(-n3nc(-c4cccnc4)cc3C(F)(F)F)cn2)c1.O=C(Nc1ccc(-n2nc(-c3nccs3)cc2C(F)(F)F)nn1)c1cccc(-c2ccc(F)nc2)c1.O=C(Nc1ccc(-n2nc(-c3nccs3)cc2C(F)(F)F)nn1)c1cccc(Br)c1
InChIInChI=1S/C24H22F3N7O.C24H21F3N6O2.C23H13F4N7OS.C22H18F3N7O.C22H17F3N6O3S.C18H10BrF3N6OS/c1-3-33(4-2)22-12-16(9-11-29-22)23(35)31-21-8-7-18(15-30-21)34-20(24(25,26)27)13-19(32-34)17-6-5-10-28-14-17;1-2-35-20-8-4-3-6-17(20)14-30-23(34)31-22-10-9-18(15-29-22)33-21(24(25,26)27)12-19(32-33)16-7-5-11-28-13-16;24-18-5-4-15(12-29-18)13-2-1-3-14(10-13)21(35)30-19-6-7-20(32-31-19)34-17(23(25,26)27)11-16(33-34)22-28-8-9-36-22;1-31(2)20-10-14(7-9-27-20)21(33)29-19-6-5-16(13-28-19)32-18(22(23,24)25)11-17(30-32)15-4-3-8-26-12-15;1-26-35(33,34)17-6-2-4-14(10-17)21(32)29-20-8-7-16(13-28-20)31-19(22(23,24)25)11-18(30-31)15-5-3-9-27-12-15;19-11-3-1-2-10(8-11)16(29)24-14-4-5-15(26-25-14)28-13(18(20,21)22)9-12(27-28)17-23-6-7-30-17/h5-15H,3-4H2,1-2H3,(H,30,31,35);3-13,15H,2,14H2,1H3,(H2,29,30,31,34);1-12H,(H,30,31,35);3-13H,1-2H3,(H,28,29,33);2-13,26H,1H3,(H,28,29,32);1-9H,(H,24,25,29)
InChIKeyFFMGHHZNKAEJHG-UHFFFAOYSA-N
MW2926.60 g/mol
LogP27.56
Rot. Bonds34

About 3-bromo-N-[6-[3-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;2-(diethylamino)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-4-carboxamide;2-(dimethylamino)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-4-carboxamide;1-[(2-ethoxyphenyl)methyl]-3-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]urea;3-(6-fluoro-3-pyridinyl)-N-[6-[3-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-(methylsulfamoyl)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide

3-bromo-N-[6-[3-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;2-(diethylamino)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-4-carboxamide;2-(dimethylamino)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-4-carboxamide;1-[(2-ethoxyphenyl)methyl]-3-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]urea;3-(6-fluoro-3-pyridinyl)-N-[6-[3-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-(methylsulfamoyl)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide (PubChem CID 158016110) has the molecular formula C133H101BrF19N39O9S3 and a molecular weight of 2926.60 g/mol. Its IUPAC name is 3-bromo-N-[6-[3-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;2-(diethylamino)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-4-carboxamide;2-(dimethylamino)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-4-carboxamide;1-[(2-ethoxyphenyl)methyl]-3-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]urea;3-(6-fluoro-3-pyridinyl)-N-[6-[3-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-(methylsulfamoyl)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[6-[3-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;2-(diethylamino)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-4-carboxamide;2-(dimethylamino)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-4-carboxamide;1-[(2-ethoxyphenyl)methyl]-3-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]urea;3-(6-fluoro-3-pyridinyl)-N-[6-[3-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-(methylsulfamoyl)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide
PubChem CID158016110
Molecular FormulaC133H101BrF19N39O9S3
Molecular Weight2926.60 g/mol
Exact Mass2923.67
IUPAC Name3-bromo-N-[6-[3-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;2-(diethylamino)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-4-carboxamide;2-(dimethylamino)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-4-carboxamide;1-[(2-ethoxyphenyl)methyl]-3-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]urea;3-(6-fluoro-3-pyridinyl)-N-[6-[3-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-(methylsulfamoyl)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide
SMILESCCN(CC)c1cc(C(=O)Nc2ccc(-n3nc(-c4cccnc4)cc3C(F)(F)F)cn2)ccn1.CCOc1ccccc1CNC(=O)Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cn1.CN(C)c1cc(C(=O)Nc2ccc(-n3nc(-c4cccnc4)cc3C(F)(F)F)cn2)ccn1.CNS(=O)(=O)c1cccc(C(=O)Nc2ccc(-n3nc(-c4cccnc4)cc3C(F)(F)F)cn2)c1.O=C(Nc1ccc(-n2nc(-c3nccs3)cc2C(F)(F)F)nn1)c1cccc(-c2ccc(F)nc2)c1.O=C(Nc1ccc(-n2nc(-c3nccs3)cc2C(F)(F)F)nn1)c1cccc(Br)c1
InChIInChI=1S/C24H22F3N7O.C24H21F3N6O2.C23H13F4N7OS.C22H18F3N7O.C22H17F3N6O3S.C18H10BrF3N6OS/c1-3-33(4-2)22-12-16(9-11-29-22)23(35)31-21-8-7-18(15-30-21)34-20(24(25,26)27)13-19(32-34)17-6-5-10-28-14-17;1-2-35-20-8-4-3-6-17(20)14-30-23(34)31-22-10-9-18(15-29-22)33-21(24(25,26)27)12-19(32-33)16-7-5-11-28-13-16;24-18-5-4-15(12-29-18)13-2-1-3-14(10-13)21(35)30-19-6-7-20(32-31-19)34-17(23(25,26)27)11-16(33-34)22-28-8-9-36-22;1-31(2)20-10-14(7-9-27-20)21(33)29-19-6-5-16(13-28-19)32-18(22(23,24)25)11-17(30-32)15-4-3-8-26-12-15;1-26-35(33,34)17-6-2-4-14(10-17)21(32)29-20-8-7-16(13-28-20)31-19(22(23,24)25)11-18(30-31)15-5-3-9-27-12-15;19-11-3-1-2-10(8-11)16(29)24-14-4-5-15(26-25-14)28-13(18(20,21)22)9-12(27-28)17-23-6-7-30-17/h5-15H,3-4H2,1-2H3,(H,30,31,35);3-13,15H,2,14H2,1H3,(H2,29,30,31,34);1-12H,(H,30,31,35);3-13H,1-2H3,(H,28,29,33);2-13,26H,1H3,(H,28,29,32);1-9H,(H,24,25,29)
InChIKeyFFMGHHZNKAEJHG-UHFFFAOYSA-N
XLogP27.56
TPSA574.56 Ų
H-Bond Donors8
H-Bond Acceptors42
Rotatable Bonds34
Heavy Atoms204
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002926.60
LogP ≤ 527.56
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 3-bromo-N-[6-[3-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;2-(diethylamino)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-4-carboxamide;2-(dimethylamino)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-4-carboxamide;1-[(2-ethoxyphenyl)methyl]-3-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]urea;3-(6-fluoro-3-pyridinyl)-N-[6-[3-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-(methylsulfamoyl)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide with MolForge

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Related Compounds

3,5-bis(methylsulfonyl)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;3-bromo-N-[5-[3-ethoxy-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;3-bromo-4-fluoro-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;ethyl 2-[2-oxo-5-[[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]carbamoyl]-1-pyridinyl]acetate;3-propan-2-ylsulfonyl-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-3-pyrrolidin-1-ylbenzamide
CID 157466400
3-bromo-N-[6-[3-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-cyano-N-[6-[3-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-cyano-N-[6-[3-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-(2,6-dimethylmorpholin-4-yl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;2-fluoro-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-4-carboxamide;3-(6-methyl-3-pyridinyl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;1-N-methyl-3-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide
CID 157886112
5-bromo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]pyridine-3-carboxamide;3-bromo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;3-(6-methoxy-3-pyridinyl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-(3-methylsulfonylphenyl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-1H-pyridine-3-carboxamide;N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-3-(trifluoromethyl)benzamide
CID 161455461
3-N-benzyl-3-N-methyl-1-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide;3-bromo-N-[5-[3-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;1-(2-ethoxyethyl)-N-[5-[3-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-6-oxopyridine-3-carboxamide;6-ethoxy-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;3-fluoro-4-methoxy-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;3-N-methyl-3-N-pyridin-2-yl-1-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide;3-methylsulfonyl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide
CID 162110546
N-[5-(5-bromo-1-methyl-4-phenylpyrrol-2-yl)-2-pyridinyl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-(1-methyl-4-phenylpyrrol-2-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)pyrazin-2-yl]benzamide
CID 158853452

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[6-[3-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;2-(diethylamino)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-4-carboxamide;2-(dimethylamino)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-4-carboxamide;1-[(2-ethoxyphenyl)methyl]-3-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]urea;3-(6-fluoro-3-pyridinyl)-N-[6-[3-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-(methylsulfamoyl)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide?
The IUPAC name of 3-bromo-N-[6-[3-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;2-(diethylamino)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-4-carboxamide;2-(dimethylamino)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-4-carboxamide;1-[(2-ethoxyphenyl)methyl]-3-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]urea;3-(6-fluoro-3-pyridinyl)-N-[6-[3-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-(methylsulfamoyl)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide (CID 158016110) is 3-bromo-N-[6-[3-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;2-(diethylamino)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-4-carboxamide;2-(dimethylamino)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-4-carboxamide;1-[(2-ethoxyphenyl)methyl]-3-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]urea;3-(6-fluoro-3-pyridinyl)-N-[6-[3-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-(methylsulfamoyl)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide.
What is the SMILES notation for 3-bromo-N-[6-[3-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;2-(diethylamino)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-4-carboxamide;2-(dimethylamino)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-4-carboxamide;1-[(2-ethoxyphenyl)methyl]-3-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]urea;3-(6-fluoro-3-pyridinyl)-N-[6-[3-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-(methylsulfamoyl)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide?
The canonical SMILES for 3-bromo-N-[6-[3-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;2-(diethylamino)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-4-carboxamide;2-(dimethylamino)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-4-carboxamide;1-[(2-ethoxyphenyl)methyl]-3-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]urea;3-(6-fluoro-3-pyridinyl)-N-[6-[3-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-(methylsulfamoyl)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide is CCN(CC)c1cc(C(=O)Nc2ccc(-n3nc(-c4cccnc4)cc3C(F)(F)F)cn2)ccn1.CCOc1ccccc1CNC(=O)Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cn1.CN(C)c1cc(C(=O)Nc2ccc(-n3nc(-c4cccnc4)cc3C(F)(F)F)cn2)ccn1.CNS(=O)(=O)c1cccc(C(=O)Nc2ccc(-n3nc(-c4cccnc4)cc3C(F)(F)F)cn2)c1.O=C(Nc1ccc(-n2nc(-c3nccs3)cc2C(F)(F)F)nn1)c1cccc(-c2ccc(F)nc2)c1.O=C(Nc1ccc(-n2nc(-c3nccs3)cc2C(F)(F)F)nn1)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[6-[3-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;2-(diethylamino)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-4-carboxamide;2-(dimethylamino)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-4-carboxamide;1-[(2-ethoxyphenyl)methyl]-3-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]urea;3-(6-fluoro-3-pyridinyl)-N-[6-[3-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-(methylsulfamoyl)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide?
The InChIKey is FFMGHHZNKAEJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N7O.C24H21F3N6O2.C23H13F4N7OS.C22H18F3N7O.C22H17F3N6O3S.C18H10BrF3N6OS/c1-3-33(4-2)22-12-16(9-11-29-22)23(35)31-21-8-7-18(15-30-21)34-20(24(25,26)27)13-19(32-34)17-6-5-10-28-14-17;1-2-35-20-8-4-3-6-17(20)14-30-23(34)31-22-10-9-18(15-29-22)33-21(24(25,26)27)12-19(32-33)16-7-5-11-28-13-16;24-18-5-4-15(12-29-18)13-2-1-3-14(10-13)21(35)30-19-6-7-20(32-31-19)34-17(23(25,26)27)11-16(33-34)22-28-8-9-36-22;1-31(2)20-10-14(7-9-27-20)21(33)29-19-6-5-16(13-28-19)32-18(22(23,24)25)11-17(30-32)15-4-3-8-26-12-15;1-26-35(33,34)17-6-2-4-14(10-17)21(32)29-20-8-7-16(13-28-20)31-19(22(23,24)25)11-18(30-31)15-5-3-9-27-12-15;19-11-3-1-2-10(8-11)16(29)24-14-4-5-15(26-25-14)28-13(18(20,21)22)9-12(27-28)17-23-6-7-30-17/h5-15H,3-4H2,1-2H3,(H,30,31,35);3-13,15H,2,14H2,1H3,(H2,29,30,31,34);1-12H,(H,30,31,35);3-13H,1-2H3,(H,28,29,33);2-13,26H,1H3,(H,28,29,32);1-9H,(H,24,25,29).
What are the key properties of 3-bromo-N-[6-[3-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;2-(diethylamino)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-4-carboxamide;2-(dimethylamino)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-4-carboxamide;1-[(2-ethoxyphenyl)methyl]-3-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]urea;3-(6-fluoro-3-pyridinyl)-N-[6-[3-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-(methylsulfamoyl)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide?
3-bromo-N-[6-[3-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;2-(diethylamino)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-4-carboxamide;2-(dimethylamino)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-4-carboxamide;1-[(2-ethoxyphenyl)methyl]-3-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]urea;3-(6-fluoro-3-pyridinyl)-N-[6-[3-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-(methylsulfamoyl)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide has a molecular weight of 2926.60 g/mol, XLogP of 27.56, 34 rotatable bonds, 8 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[6-[3-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;2-(diethylamino)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-4-carboxamide;2-(dimethylamino)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-4-carboxamide;1-[(2-ethoxyphenyl)methyl]-3-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]urea;3-(6-fluoro-3-pyridinyl)-N-[6-[3-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-(methylsulfamoyl)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide is sourced from PubChem (CID 158016110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).