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

C135H104Br2F19N31O16S3 — CID 157466400

IUPAC3,5-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
SMILESCC(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc(-n3nc(-c4cccnc4)cc3C(F)(F)F)cn2)c1.CCOC(=O)Cn1cc(C(=O)Nc2ccc(-n3nc(-c4cccnc4)cc3C(F)(F)F)cn2)ccc1=O.CCOc1cc(C(F)(F)F)n(-c2ccc(NC(=O)c3cccc(Br)c3)nc2)n1.CS(=O)(=O)c1cc(C(=O)Nc2ccc(-n3nc(-c4cccnc4)cc3C(F)(F)F)cn2)cc(S(C)(=O)=O)c1.O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cn1)c1ccc(F)c(Br)c1.O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cn1)c1cccc(N2CCCC2)c1
InChIInChI=1S/C25H21F3N6O.C24H19F3N6O4.C24H20F3N5O3S.C23H18F3N5O5S2.C21H12BrF4N5O.C18H14BrF3N4O2/c26-25(27,28)22-14-21(18-6-4-10-29-15-18)32-34(22)20-8-9-23(30-16-20)31-24(35)17-5-3-7-19(13-17)33-11-1-2-12-33;1-2-37-22(35)14-32-13-16(5-8-21(32)34)23(36)30-20-7-6-17(12-29-20)33-19(24(25,26)27)10-18(31-33)15-4-3-9-28-11-15;1-15(2)36(34,35)19-7-3-5-16(11-19)23(33)30-22-9-8-18(14-29-22)32-21(24(25,26)27)12-20(31-32)17-6-4-10-28-13-17;1-37(33,34)17-8-15(9-18(10-17)38(2,35)36)22(32)29-21-6-5-16(13-28-21)31-20(23(24,25)26)11-19(30-31)14-4-3-7-27-12-14;22-15-8-12(3-5-16(15)23)20(32)29-19-6-4-14(11-28-19)31-18(21(24,25)26)9-17(30-31)13-2-1-7-27-10-13;1-2-28-16-9-14(18(20,21)22)26(25-16)13-6-7-15(23-10-13)24-17(27)11-4-3-5-12(19)8-11/h3-10,13-16H,1-2,11-12H2,(H,30,31,35);3-13H,2,14H2,1H3,(H,29,30,36);3-15H,1-2H3,(H,29,30,33);3-13H,1-2H3,(H,28,29,32);1-11H,(H,28,29,32);3-10H,2H2,1H3,(H,23,24,27)
InChIKeyBUNLRKZEKNZKDN-UHFFFAOYSA-N
MW3033.49 g/mol
LogP26.92
Rot. Bonds33

About 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

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 (PubChem CID 157466400) has the molecular formula C135H104Br2F19N31O16S3 and a molecular weight of 3033.49 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3,5-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
PubChem CID157466400
Molecular FormulaC135H104Br2F19N31O16S3
Molecular Weight3033.49 g/mol
Exact Mass3029.55
IUPAC Name3,5-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
SMILESCC(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc(-n3nc(-c4cccnc4)cc3C(F)(F)F)cn2)c1.CCOC(=O)Cn1cc(C(=O)Nc2ccc(-n3nc(-c4cccnc4)cc3C(F)(F)F)cn2)ccc1=O.CCOc1cc(C(F)(F)F)n(-c2ccc(NC(=O)c3cccc(Br)c3)nc2)n1.CS(=O)(=O)c1cc(C(=O)Nc2ccc(-n3nc(-c4cccnc4)cc3C(F)(F)F)cn2)cc(S(C)(=O)=O)c1.O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cn1)c1ccc(F)c(Br)c1.O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cn1)c1cccc(N2CCCC2)c1
InChIInChI=1S/C25H21F3N6O.C24H19F3N6O4.C24H20F3N5O3S.C23H18F3N5O5S2.C21H12BrF4N5O.C18H14BrF3N4O2/c26-25(27,28)22-14-21(18-6-4-10-29-15-18)32-34(22)20-8-9-23(30-16-20)31-24(35)17-5-3-7-19(13-17)33-11-1-2-12-33;1-2-37-22(35)14-32-13-16(5-8-21(32)34)23(36)30-20-7-6-17(12-29-20)33-19(24(25,26)27)10-18(31-33)15-4-3-9-28-11-15;1-15(2)36(34,35)19-7-3-5-16(11-19)23(33)30-22-9-8-18(14-29-22)32-21(24(25,26)27)12-20(31-32)17-6-4-10-28-13-17;1-37(33,34)17-8-15(9-18(10-17)38(2,35)36)22(32)29-21-6-5-16(13-28-21)31-20(23(24,25)26)11-19(30-31)14-4-3-7-27-12-14;22-15-8-12(3-5-16(15)23)20(32)29-19-6-4-14(11-28-19)31-18(21(24,25)26)9-17(30-31)13-2-1-7-27-10-13;1-2-28-16-9-14(18(20,21)22)26(25-16)13-6-7-15(23-10-13)24-17(27)11-4-3-5-12(19)8-11/h3-10,13-16H,1-2,11-12H2,(H,30,31,35);3-13H,2,14H2,1H3,(H,29,30,36);3-15H,1-2H3,(H,29,30,33);3-13H,1-2H3,(H,28,29,32);1-11H,(H,28,29,32);3-10H,2H2,1H3,(H,23,24,27)
InChIKeyBUNLRKZEKNZKDN-UHFFFAOYSA-N
XLogP26.92
TPSA586.50 Ų
H-Bond Donors6
H-Bond Acceptors41
Rotatable Bonds33
Heavy Atoms206
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003033.49
LogP ≤ 526.92
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1041

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

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
3-(benzylsulfamoyl)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;1-[2-(dimethylamino)-2-oxoethyl]-6-oxo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-3-carboxamide;ethyl 3-[2-oxo-5-[[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]carbamoyl]-1-pyridinyl]propanoate;4-fluoro-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;1-[2-(2-methoxyethylamino)-2-oxoethyl]-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;1-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
CID 159323137
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc(-n3nc(-c4cccnc4)cc3C(F)(F)F)cn2)c1.CCOC(=O)Cn1cc(C(=O)Nc2ccc(-n3nc(-c4cccnc4)cc3C(F)(F)F)cn2)ccc1=O.CCOc1cc(C(F)(F)F)n(-c2ccc(NC(=O)c3cccc(Br)c3)nc2)n1.CS(=O)(=O)c1cc(C(=O)Nc2ccc(-n3nc(-c4cccnc4)cc3C(F)(F)F)cn2)cc(S(C)(=O)=O)c1.O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cn1)c1ccc(F)c(Br)c1.O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cn1)c1cccc(N2CCCC2)c1.
What is the InChIKey of 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?
The InChIKey is BUNLRKZEKNZKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F3N6O.C24H19F3N6O4.C24H20F3N5O3S.C23H18F3N5O5S2.C21H12BrF4N5O.C18H14BrF3N4O2/c26-25(27,28)22-14-21(18-6-4-10-29-15-18)32-34(22)20-8-9-23(30-16-20)31-24(35)17-5-3-7-19(13-17)33-11-1-2-12-33;1-2-37-22(35)14-32-13-16(5-8-21(32)34)23(36)30-20-7-6-17(12-29-20)33-19(24(25,26)27)10-18(31-33)15-4-3-9-28-11-15;1-15(2)36(34,35)19-7-3-5-16(11-19)23(33)30-22-9-8-18(14-29-22)32-21(24(25,26)27)12-20(31-32)17-6-4-10-28-13-17;1-37(33,34)17-8-15(9-18(10-17)38(2,35)36)22(32)29-21-6-5-16(13-28-21)31-20(23(24,25)26)11-19(30-31)14-4-3-7-27-12-14;22-15-8-12(3-5-16(15)23)20(32)29-19-6-4-14(11-28-19)31-18(21(24,25)26)9-17(30-31)13-2-1-7-27-10-13;1-2-28-16-9-14(18(20,21)22)26(25-16)13-6-7-15(23-10-13)24-17(27)11-4-3-5-12(19)8-11/h3-10,13-16H,1-2,11-12H2,(H,30,31,35);3-13H,2,14H2,1H3,(H,29,30,36);3-15H,1-2H3,(H,29,30,33);3-13H,1-2H3,(H,28,29,32);1-11H,(H,28,29,32);3-10H,2H2,1H3,(H,23,24,27).
What are the key properties of 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?
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 has a molecular weight of 3033.49 g/mol, XLogP of 26.92, 33 rotatable bonds, 6 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157466400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).