2-[(5-bromo-2-ethyl-7-fluoroindazol-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(5-bromo-2-ethyl-7-fluoroindazol-3-yl)-ethylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-bromo-1-(3-hydroxyazetidin-1-yl)ethanone;tert-butyl 4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-ethylamino]-2-ethyl-7-fluoroindazol-5-yl]-3-(trifluoromethyl)piperazine-1-carboxylate;2-[ethyl-[2-ethyl-7-fluoro-5-[(2S)-4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-2-(trifluoromethyl)piperazin-1-yl]indazol-3-yl]amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[ethyl-[2-ethyl-7-fluoro-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-2-(trifluoromethyl)piperazin-1-yl]indazol-3-yl]amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[ethyl-[2-ethyl-7-fluoro-5-[2-(trifluoromethyl)piperazin-1-yl]indazol-3-yl]amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-(trifluoromethyl)piperidine

C170H164Br3F27N42O8S6 — CID 159421910

IUPAC2-[(5-bromo-2-ethyl-7-fluoroindazol-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(5-bromo-2-ethyl-7-fluoroindazol-3-yl)-ethylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-bromo-1-(3-hydroxyazetidin-1-yl)ethanone;tert-butyl 4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-ethylamino]-2-ethyl-7-fluoroindazol-5-yl]-3-(trifluoromethyl)piperazine-1-carboxylate;2-[ethyl-[2-ethyl-7-fluoro-5-[(2S)-4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-2-(trifluoromethyl)piperazin-1-yl]indazol-3-yl]amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[ethyl-[2-ethyl-7-fluoro-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-2-(trifluoromethyl)piperazin-1-yl]indazol-3-yl]amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[ethyl-[2-ethyl-7-fluoro-5-[2-(trifluoromethyl)piperazin-1-yl]indazol-3-yl]amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-(trifluoromethyl)piperidine
SMILESCCN(c1nc(-c2ccc(F)cc2)c(C#N)s1)c1c2cc(Br)cc(F)c2nn1CC.CCN(c1nc(-c2ccc(F)cc2)c(C#N)s1)c1c2cc(N3CCN(C(=O)OC(C)(C)C)CC3C(F)(F)F)cc(F)c2nn1CC.CCN(c1nc(-c2ccc(F)cc2)c(C#N)s1)c1c2cc(N3CCN(CC(=O)N4CC(O)C4)CC3C(F)(F)F)cc(F)c2nn1CC.CCN(c1nc(-c2ccc(F)cc2)c(C#N)s1)c1c2cc(N3CCN(CC(=O)N4CC(O)C4)C[C@H]3C(F)(F)F)cc(F)c2nn1CC.CCN(c1nc(-c2ccc(F)cc2)c(C#N)s1)c1c2cc(N3CCNCC3C(F)(F)F)cc(F)c2nn1CC.CCn1nc2c(F)cc(Br)cc2c1Nc1nc(-c2ccc(F)cc2)c(C#N)s1.FC(F)(F)C1CCCCN1.O=C(CBr)N1CC(O)C1
InChIInChI=1S/2C31H31F5N8O2S.C31H32F5N7O2S.C26H24F5N7S.C21H16BrF2N5S.C19H12BrF2N5S.C6H10F3N.C5H8BrNO2/c2*1-3-42(30-38-27(24(13-37)47-30)18-5-7-19(32)8-6-18)29-22-11-20(12-23(33)28(22)39-44(29)4-2)43-10-9-40(16-25(43)31(34,35)36)17-26(46)41-14-21(45)15-41;1-6-41(28-38-25(23(16-37)46-28)18-8-10-19(32)11-9-18)27-21-14-20(15-22(33)26(21)39-43(27)7-2)42-13-12-40(17-24(42)31(34,35)36)29(44)45-30(3,4)5;1-3-36(25-34-22(20(13-32)39-25)15-5-7-16(27)8-6-15)24-18-11-17(12-19(28)23(18)35-38(24)4-2)37-10-9-33-14-21(37)26(29,30)31;1-3-28(20-15-9-13(22)10-16(24)19(15)27-29(20)4-2)21-26-18(17(11-25)30-21)12-5-7-14(23)8-6-12;1-2-27-18(13-7-11(20)8-14(22)17(13)26-27)25-19-24-16(15(9-23)28-19)10-3-5-12(21)6-4-10;7-6(8,9)5-3-1-2-4-10-5;6-1-5(9)7-2-4(8)3-7/h2*5-8,11-12,21,25,45H,3-4,9-10,14-17H2,1-2H3;8-11,14-15,24H,6-7,12-13,17H2,1-5H3;5-8,11-12,21,33H,3-4,9-10,14H2,1-2H3;5-10H,3-4H2,1-2H3;3-8H,2H2,1H3,(H,24,25);5,10H,1-4H2;4,8H,1-3H2/t25-;;;;;;;/m0......./s1
InChIKeyLPWHDIXLAAEWTE-CGHHKCOBSA-N
MW3868.53 g/mol
LogP36.15
Rot. Bonds38

About 2-[(5-bromo-2-ethyl-7-fluoroindazol-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(5-bromo-2-ethyl-7-fluoroindazol-3-yl)-ethylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-bromo-1-(3-hydroxyazetidin-1-yl)ethanone;tert-butyl 4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-ethylamino]-2-ethyl-7-fluoroindazol-5-yl]-3-(trifluoromethyl)piperazine-1-carboxylate;2-[ethyl-[2-ethyl-7-fluoro-5-[(2S)-4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-2-(trifluoromethyl)piperazin-1-yl]indazol-3-yl]amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[ethyl-[2-ethyl-7-fluoro-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-2-(trifluoromethyl)piperazin-1-yl]indazol-3-yl]amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[ethyl-[2-ethyl-7-fluoro-5-[2-(trifluoromethyl)piperazin-1-yl]indazol-3-yl]amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-(trifluoromethyl)piperidine

2-[(5-bromo-2-ethyl-7-fluoroindazol-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(5-bromo-2-ethyl-7-fluoroindazol-3-yl)-ethylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-bromo-1-(3-hydroxyazetidin-1-yl)ethanone;tert-butyl 4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-ethylamino]-2-ethyl-7-fluoroindazol-5-yl]-3-(trifluoromethyl)piperazine-1-carboxylate;2-[ethyl-[2-ethyl-7-fluoro-5-[(2S)-4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-2-(trifluoromethyl)piperazin-1-yl]indazol-3-yl]amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[ethyl-[2-ethyl-7-fluoro-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-2-(trifluoromethyl)piperazin-1-yl]indazol-3-yl]amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[ethyl-[2-ethyl-7-fluoro-5-[2-(trifluoromethyl)piperazin-1-yl]indazol-3-yl]amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-(trifluoromethyl)piperidine (PubChem CID 159421910) has the molecular formula C170H164Br3F27N42O8S6 and a molecular weight of 3868.53 g/mol. Its IUPAC name is 2-[(5-bromo-2-ethyl-7-fluoroindazol-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(5-bromo-2-ethyl-7-fluoroindazol-3-yl)-ethylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-bromo-1-(3-hydroxyazetidin-1-yl)ethanone;tert-butyl 4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-ethylamino]-2-ethyl-7-fluoroindazol-5-yl]-3-(trifluoromethyl)piperazine-1-carboxylate;2-[ethyl-[2-ethyl-7-fluoro-5-[(2S)-4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-2-(trifluoromethyl)piperazin-1-yl]indazol-3-yl]amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[ethyl-[2-ethyl-7-fluoro-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-2-(trifluoromethyl)piperazin-1-yl]indazol-3-yl]amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[ethyl-[2-ethyl-7-fluoro-5-[2-(trifluoromethyl)piperazin-1-yl]indazol-3-yl]amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name2-[(5-bromo-2-ethyl-7-fluoroindazol-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(5-bromo-2-ethyl-7-fluoroindazol-3-yl)-ethylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-bromo-1-(3-hydroxyazetidin-1-yl)ethanone;tert-butyl 4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-ethylamino]-2-ethyl-7-fluoroindazol-5-yl]-3-(trifluoromethyl)piperazine-1-carboxylate;2-[ethyl-[2-ethyl-7-fluoro-5-[(2S)-4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-2-(trifluoromethyl)piperazin-1-yl]indazol-3-yl]amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[ethyl-[2-ethyl-7-fluoro-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-2-(trifluoromethyl)piperazin-1-yl]indazol-3-yl]amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[ethyl-[2-ethyl-7-fluoro-5-[2-(trifluoromethyl)piperazin-1-yl]indazol-3-yl]amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-(trifluoromethyl)piperidine
PubChem CID159421910
Molecular FormulaC170H164Br3F27N42O8S6
Molecular Weight3868.53 g/mol
Exact Mass3862.92
IUPAC Name2-[(5-bromo-2-ethyl-7-fluoroindazol-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(5-bromo-2-ethyl-7-fluoroindazol-3-yl)-ethylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-bromo-1-(3-hydroxyazetidin-1-yl)ethanone;tert-butyl 4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-ethylamino]-2-ethyl-7-fluoroindazol-5-yl]-3-(trifluoromethyl)piperazine-1-carboxylate;2-[ethyl-[2-ethyl-7-fluoro-5-[(2S)-4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-2-(trifluoromethyl)piperazin-1-yl]indazol-3-yl]amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[ethyl-[2-ethyl-7-fluoro-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-2-(trifluoromethyl)piperazin-1-yl]indazol-3-yl]amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[ethyl-[2-ethyl-7-fluoro-5-[2-(trifluoromethyl)piperazin-1-yl]indazol-3-yl]amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-(trifluoromethyl)piperidine
SMILESCCN(c1nc(-c2ccc(F)cc2)c(C#N)s1)c1c2cc(Br)cc(F)c2nn1CC.CCN(c1nc(-c2ccc(F)cc2)c(C#N)s1)c1c2cc(N3CCN(C(=O)OC(C)(C)C)CC3C(F)(F)F)cc(F)c2nn1CC.CCN(c1nc(-c2ccc(F)cc2)c(C#N)s1)c1c2cc(N3CCN(CC(=O)N4CC(O)C4)CC3C(F)(F)F)cc(F)c2nn1CC.CCN(c1nc(-c2ccc(F)cc2)c(C#N)s1)c1c2cc(N3CCN(CC(=O)N4CC(O)C4)C[C@H]3C(F)(F)F)cc(F)c2nn1CC.CCN(c1nc(-c2ccc(F)cc2)c(C#N)s1)c1c2cc(N3CCNCC3C(F)(F)F)cc(F)c2nn1CC.CCn1nc2c(F)cc(Br)cc2c1Nc1nc(-c2ccc(F)cc2)c(C#N)s1.FC(F)(F)C1CCCCN1.O=C(CBr)N1CC(O)C1
InChIInChI=1S/2C31H31F5N8O2S.C31H32F5N7O2S.C26H24F5N7S.C21H16BrF2N5S.C19H12BrF2N5S.C6H10F3N.C5H8BrNO2/c2*1-3-42(30-38-27(24(13-37)47-30)18-5-7-19(32)8-6-18)29-22-11-20(12-23(33)28(22)39-44(29)4-2)43-10-9-40(16-25(43)31(34,35)36)17-26(46)41-14-21(45)15-41;1-6-41(28-38-25(23(16-37)46-28)18-8-10-19(32)11-9-18)27-21-14-20(15-22(33)26(21)39-43(27)7-2)42-13-12-40(17-24(42)31(34,35)36)29(44)45-30(3,4)5;1-3-36(25-34-22(20(13-32)39-25)15-5-7-16(27)8-6-15)24-18-11-17(12-19(28)23(18)35-38(24)4-2)37-10-9-33-14-21(37)26(29,30)31;1-3-28(20-15-9-13(22)10-16(24)19(15)27-29(20)4-2)21-26-18(17(11-25)30-21)12-5-7-14(23)8-6-12;1-2-27-18(13-7-11(20)8-14(22)17(13)26-27)25-19-24-16(15(9-23)28-19)10-3-5-12(21)6-4-10;7-6(8,9)5-3-1-2-4-10-5;6-1-5(9)7-2-4(8)3-7/h2*5-8,11-12,21,25,45H,3-4,9-10,14-17H2,1-2H3;8-11,14-15,24H,6-7,12-13,17H2,1-5H3;5-8,11-12,21,33H,3-4,9-10,14H2,1-2H3;5-10H,3-4H2,1-2H3;3-8H,2H2,1H3,(H,24,25);5,10H,1-4H2;4,8H,1-3H2/t25-;;;;;;;/m0......./s1
InChIKeyLPWHDIXLAAEWTE-CGHHKCOBSA-N
XLogP36.15
TPSA549.89 Ų
H-Bond Donors6
H-Bond Acceptors52
Rotatable Bonds38
Heavy Atoms256
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003868.53
LogP ≤ 536.15
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1052

Computed Properties (RDKit)

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

Analyze 2-[(5-bromo-2-ethyl-7-fluoroindazol-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(5-bromo-2-ethyl-7-fluoroindazol-3-yl)-ethylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-bromo-1-(3-hydroxyazetidin-1-yl)ethanone;tert-butyl 4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-ethylamino]-2-ethyl-7-fluoroindazol-5-yl]-3-(trifluoromethyl)piperazine-1-carboxylate;2-[ethyl-[2-ethyl-7-fluoro-5-[(2S)-4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-2-(trifluoromethyl)piperazin-1-yl]indazol-3-yl]amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[ethyl-[2-ethyl-7-fluoro-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-2-(trifluoromethyl)piperazin-1-yl]indazol-3-yl]amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[ethyl-[2-ethyl-7-fluoro-5-[2-(trifluoromethyl)piperazin-1-yl]indazol-3-yl]amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-(trifluoromethyl)piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-ethyl-7-fluoroindazol-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(5-bromo-2-ethyl-7-fluoroindazol-3-yl)-ethylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-bromo-1-(3-hydroxyazetidin-1-yl)ethanone;tert-butyl 4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-ethylamino]-2-ethyl-7-fluoroindazol-5-yl]-3-(trifluoromethyl)piperazine-1-carboxylate;2-[ethyl-[2-ethyl-7-fluoro-5-[(2S)-4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-2-(trifluoromethyl)piperazin-1-yl]indazol-3-yl]amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[ethyl-[2-ethyl-7-fluoro-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-2-(trifluoromethyl)piperazin-1-yl]indazol-3-yl]amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[ethyl-[2-ethyl-7-fluoro-5-[2-(trifluoromethyl)piperazin-1-yl]indazol-3-yl]amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-(trifluoromethyl)piperidine?
The IUPAC name of 2-[(5-bromo-2-ethyl-7-fluoroindazol-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(5-bromo-2-ethyl-7-fluoroindazol-3-yl)-ethylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-bromo-1-(3-hydroxyazetidin-1-yl)ethanone;tert-butyl 4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-ethylamino]-2-ethyl-7-fluoroindazol-5-yl]-3-(trifluoromethyl)piperazine-1-carboxylate;2-[ethyl-[2-ethyl-7-fluoro-5-[(2S)-4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-2-(trifluoromethyl)piperazin-1-yl]indazol-3-yl]amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[ethyl-[2-ethyl-7-fluoro-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-2-(trifluoromethyl)piperazin-1-yl]indazol-3-yl]amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[ethyl-[2-ethyl-7-fluoro-5-[2-(trifluoromethyl)piperazin-1-yl]indazol-3-yl]amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-(trifluoromethyl)piperidine (CID 159421910) is 2-[(5-bromo-2-ethyl-7-fluoroindazol-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(5-bromo-2-ethyl-7-fluoroindazol-3-yl)-ethylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-bromo-1-(3-hydroxyazetidin-1-yl)ethanone;tert-butyl 4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-ethylamino]-2-ethyl-7-fluoroindazol-5-yl]-3-(trifluoromethyl)piperazine-1-carboxylate;2-[ethyl-[2-ethyl-7-fluoro-5-[(2S)-4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-2-(trifluoromethyl)piperazin-1-yl]indazol-3-yl]amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[ethyl-[2-ethyl-7-fluoro-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-2-(trifluoromethyl)piperazin-1-yl]indazol-3-yl]amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[ethyl-[2-ethyl-7-fluoro-5-[2-(trifluoromethyl)piperazin-1-yl]indazol-3-yl]amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-(trifluoromethyl)piperidine.
What is the SMILES notation for 2-[(5-bromo-2-ethyl-7-fluoroindazol-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(5-bromo-2-ethyl-7-fluoroindazol-3-yl)-ethylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-bromo-1-(3-hydroxyazetidin-1-yl)ethanone;tert-butyl 4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-ethylamino]-2-ethyl-7-fluoroindazol-5-yl]-3-(trifluoromethyl)piperazine-1-carboxylate;2-[ethyl-[2-ethyl-7-fluoro-5-[(2S)-4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-2-(trifluoromethyl)piperazin-1-yl]indazol-3-yl]amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[ethyl-[2-ethyl-7-fluoro-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-2-(trifluoromethyl)piperazin-1-yl]indazol-3-yl]amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[ethyl-[2-ethyl-7-fluoro-5-[2-(trifluoromethyl)piperazin-1-yl]indazol-3-yl]amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-(trifluoromethyl)piperidine?
The canonical SMILES for 2-[(5-bromo-2-ethyl-7-fluoroindazol-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(5-bromo-2-ethyl-7-fluoroindazol-3-yl)-ethylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-bromo-1-(3-hydroxyazetidin-1-yl)ethanone;tert-butyl 4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-ethylamino]-2-ethyl-7-fluoroindazol-5-yl]-3-(trifluoromethyl)piperazine-1-carboxylate;2-[ethyl-[2-ethyl-7-fluoro-5-[(2S)-4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-2-(trifluoromethyl)piperazin-1-yl]indazol-3-yl]amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[ethyl-[2-ethyl-7-fluoro-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-2-(trifluoromethyl)piperazin-1-yl]indazol-3-yl]amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[ethyl-[2-ethyl-7-fluoro-5-[2-(trifluoromethyl)piperazin-1-yl]indazol-3-yl]amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-(trifluoromethyl)piperidine is CCN(c1nc(-c2ccc(F)cc2)c(C#N)s1)c1c2cc(Br)cc(F)c2nn1CC.CCN(c1nc(-c2ccc(F)cc2)c(C#N)s1)c1c2cc(N3CCN(C(=O)OC(C)(C)C)CC3C(F)(F)F)cc(F)c2nn1CC.CCN(c1nc(-c2ccc(F)cc2)c(C#N)s1)c1c2cc(N3CCN(CC(=O)N4CC(O)C4)CC3C(F)(F)F)cc(F)c2nn1CC.CCN(c1nc(-c2ccc(F)cc2)c(C#N)s1)c1c2cc(N3CCN(CC(=O)N4CC(O)C4)C[C@H]3C(F)(F)F)cc(F)c2nn1CC.CCN(c1nc(-c2ccc(F)cc2)c(C#N)s1)c1c2cc(N3CCNCC3C(F)(F)F)cc(F)c2nn1CC.CCn1nc2c(F)cc(Br)cc2c1Nc1nc(-c2ccc(F)cc2)c(C#N)s1.FC(F)(F)C1CCCCN1.O=C(CBr)N1CC(O)C1.
What is the InChIKey of 2-[(5-bromo-2-ethyl-7-fluoroindazol-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(5-bromo-2-ethyl-7-fluoroindazol-3-yl)-ethylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-bromo-1-(3-hydroxyazetidin-1-yl)ethanone;tert-butyl 4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-ethylamino]-2-ethyl-7-fluoroindazol-5-yl]-3-(trifluoromethyl)piperazine-1-carboxylate;2-[ethyl-[2-ethyl-7-fluoro-5-[(2S)-4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-2-(trifluoromethyl)piperazin-1-yl]indazol-3-yl]amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[ethyl-[2-ethyl-7-fluoro-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-2-(trifluoromethyl)piperazin-1-yl]indazol-3-yl]amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[ethyl-[2-ethyl-7-fluoro-5-[2-(trifluoromethyl)piperazin-1-yl]indazol-3-yl]amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-(trifluoromethyl)piperidine?
The InChIKey is LPWHDIXLAAEWTE-CGHHKCOBSA-N. The full InChI is InChI=1S/2C31H31F5N8O2S.C31H32F5N7O2S.C26H24F5N7S.C21H16BrF2N5S.C19H12BrF2N5S.C6H10F3N.C5H8BrNO2/c2*1-3-42(30-38-27(24(13-37)47-30)18-5-7-19(32)8-6-18)29-22-11-20(12-23(33)28(22)39-44(29)4-2)43-10-9-40(16-25(43)31(34,35)36)17-26(46)41-14-21(45)15-41;1-6-41(28-38-25(23(16-37)46-28)18-8-10-19(32)11-9-18)27-21-14-20(15-22(33)26(21)39-43(27)7-2)42-13-12-40(17-24(42)31(34,35)36)29(44)45-30(3,4)5;1-3-36(25-34-22(20(13-32)39-25)15-5-7-16(27)8-6-15)24-18-11-17(12-19(28)23(18)35-38(24)4-2)37-10-9-33-14-21(37)26(29,30)31;1-3-28(20-15-9-13(22)10-16(24)19(15)27-29(20)4-2)21-26-18(17(11-25)30-21)12-5-7-14(23)8-6-12;1-2-27-18(13-7-11(20)8-14(22)17(13)26-27)25-19-24-16(15(9-23)28-19)10-3-5-12(21)6-4-10;7-6(8,9)5-3-1-2-4-10-5;6-1-5(9)7-2-4(8)3-7/h2*5-8,11-12,21,25,45H,3-4,9-10,14-17H2,1-2H3;8-11,14-15,24H,6-7,12-13,17H2,1-5H3;5-8,11-12,21,33H,3-4,9-10,14H2,1-2H3;5-10H,3-4H2,1-2H3;3-8H,2H2,1H3,(H,24,25);5,10H,1-4H2;4,8H,1-3H2/t25-;;;;;;;/m0......./s1.
What are the key properties of 2-[(5-bromo-2-ethyl-7-fluoroindazol-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(5-bromo-2-ethyl-7-fluoroindazol-3-yl)-ethylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-bromo-1-(3-hydroxyazetidin-1-yl)ethanone;tert-butyl 4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-ethylamino]-2-ethyl-7-fluoroindazol-5-yl]-3-(trifluoromethyl)piperazine-1-carboxylate;2-[ethyl-[2-ethyl-7-fluoro-5-[(2S)-4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-2-(trifluoromethyl)piperazin-1-yl]indazol-3-yl]amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[ethyl-[2-ethyl-7-fluoro-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-2-(trifluoromethyl)piperazin-1-yl]indazol-3-yl]amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[ethyl-[2-ethyl-7-fluoro-5-[2-(trifluoromethyl)piperazin-1-yl]indazol-3-yl]amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-(trifluoromethyl)piperidine?
2-[(5-bromo-2-ethyl-7-fluoroindazol-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(5-bromo-2-ethyl-7-fluoroindazol-3-yl)-ethylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-bromo-1-(3-hydroxyazetidin-1-yl)ethanone;tert-butyl 4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-ethylamino]-2-ethyl-7-fluoroindazol-5-yl]-3-(trifluoromethyl)piperazine-1-carboxylate;2-[ethyl-[2-ethyl-7-fluoro-5-[(2S)-4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-2-(trifluoromethyl)piperazin-1-yl]indazol-3-yl]amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[ethyl-[2-ethyl-7-fluoro-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-2-(trifluoromethyl)piperazin-1-yl]indazol-3-yl]amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[ethyl-[2-ethyl-7-fluoro-5-[2-(trifluoromethyl)piperazin-1-yl]indazol-3-yl]amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-(trifluoromethyl)piperidine has a molecular weight of 3868.53 g/mol, XLogP of 36.15, 38 rotatable bonds, 6 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-ethyl-7-fluoroindazol-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(5-bromo-2-ethyl-7-fluoroindazol-3-yl)-ethylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-bromo-1-(3-hydroxyazetidin-1-yl)ethanone;tert-butyl 4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-ethylamino]-2-ethyl-7-fluoroindazol-5-yl]-3-(trifluoromethyl)piperazine-1-carboxylate;2-[ethyl-[2-ethyl-7-fluoro-5-[(2S)-4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-2-(trifluoromethyl)piperazin-1-yl]indazol-3-yl]amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[ethyl-[2-ethyl-7-fluoro-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-2-(trifluoromethyl)piperazin-1-yl]indazol-3-yl]amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[ethyl-[2-ethyl-7-fluoro-5-[2-(trifluoromethyl)piperazin-1-yl]indazol-3-yl]amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-(trifluoromethyl)piperidine is sourced from PubChem (CID 159421910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).