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

C146H142BrClF25N37O8S5 — CID 161381660

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

2-[(5-bromo-2-ethyl-7-fluoroindazol-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;tert-butyl 4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-7-fluoroindazol-5-yl]-3-(trifluoromethyl)piperazine-1-carboxylate;2-chloro-1-(3-hydroxyazetidin-1-yl)ethanone;bis(2-[[2-ethyl-7-fluoro-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-2-(trifluoromethyl)piperazin-1-yl]indazol-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile);2-[[2-ethyl-7-fluoro-5-[2-(trifluoromethyl)piperazin-1-yl]indazol-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-(trifluoromethyl)piperidine (PubChem CID 161381660) has the molecular formula C146H142BrClF25N37O8S5 and a molecular weight of 3293.63 g/mol. Its IUPAC name is 2-[(5-bromo-2-ethyl-7-fluoroindazol-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;tert-butyl 4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-7-fluoroindazol-5-yl]-3-(trifluoromethyl)piperazine-1-carboxylate;2-chloro-1-(3-hydroxyazetidin-1-yl)ethanone;bis(2-[[2-ethyl-7-fluoro-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-2-(trifluoromethyl)piperazin-1-yl]indazol-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile);2-[[2-ethyl-7-fluoro-5-[2-(trifluoromethyl)piperazin-1-yl]indazol-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-(trifluoromethyl)piperidine.

Molecular Properties

• Compound Name: 2-[(5-bromo-2-ethyl-7-fluoroindazol-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;tert-butyl 4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-7-fluoroindazol-5-yl]-3-(trifluoromethyl)piperazine-1-carboxylate;2-chloro-1-(3-hydroxyazetidin-1-yl)ethanone;bis(2-[[2-ethyl-7-fluoro-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-2-(trifluoromethyl)piperazin-1-yl]indazol-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile);2-[[2-ethyl-7-fluoro-5-[2-(trifluoromethyl)piperazin-1-yl]indazol-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-(trifluoromethyl)piperidine
• PubChem CID: 161381660
• Molecular Formula: C146H142BrClF25N37O8S5
• Molecular Weight: 3293.63 g/mol
• Exact Mass: 3289.89
• IUPAC Name: 2-[(5-bromo-2-ethyl-7-fluoroindazol-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;tert-butyl 4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-7-fluoroindazol-5-yl]-3-(trifluoromethyl)piperazine-1-carboxylate;2-chloro-1-(3-hydroxyazetidin-1-yl)ethanone;bis(2-[[2-ethyl-7-fluoro-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-2-(trifluoromethyl)piperazin-1-yl]indazol-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile);2-[[2-ethyl-7-fluoro-5-[2-(trifluoromethyl)piperazin-1-yl]indazol-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-(trifluoromethyl)piperidine
• SMILES: CCn1nc2c(F)cc(Br)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.CCn1nc2c(F)cc(N3CCN(C(=O)OC(C)(C)C)CC3C(F)(F)F)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.CCn1nc2c(F)cc(N3CCN(CC(=O)N4CC(O)C4)CC3C(F)(F)F)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.CCn1nc2c(F)cc(N3CCN(CC(=O)N4CC(O)C4)CC3C(F)(F)F)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.CCn1nc2c(F)cc(N3CCNCC3C(F)(F)F)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.FC(F)(F)C1CCCCN1.O=C(CCl)N1CC(O)C1
• InChI: InChI=1S/2C30H29F5N8O2S.C30H30F5N7O2S.C25H22F5N7S.C20H14BrF2N5S.C6H10F3N.C5H8ClNO2/c2*1-3-43-28(39(2)29-37-26(23(12-36)46-29)17-4-6-18(31)7-5-17)21-10-19(11-22(32)27(21)38-43)42-9-8-40(15-24(42)30(33,34)35)16-25(45)41-13-20(44)14-41;1-6-42-26(39(5)27-37-24(22(15-36)45-27)17-7-9-18(31)10-8-17)20-13-19(14-21(32)25(20)38-42)41-12-11-40(16-23(41)30(33,34)35)28(43)44-29(2,3)4;1-3-37-23(35(2)24-33-21(19(12-31)38-24)14-4-6-15(26)7-5-14)17-10-16(11-18(27)22(17)34-37)36-9-8-32-13-20(36)25(28,29)30;1-3-28-19(14-8-12(21)9-15(23)18(14)26-28)27(2)20-25-17(16(10-24)29-20)11-4-6-13(22)7-5-11;7-6(8,9)5-3-1-2-4-10-5;6-1-5(9)7-2-4(8)3-7/h2*4-7,10-11,20,24,44H,3,8-9,13-16H2,1-2H3;7-10,13-14,23H,6,11-12,16H2,1-5H3;4-7,10-11,20,32H,3,8-9,13H2,1-2H3;4-9H,3H2,1-2H3;5,10H,1-4H2;4,8H,1-3H2
• InChIKey: VRUMTPZXCQCIMM-UHFFFAOYSA-N
• XLogP: 28.21
• TPSA: 483.36 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 46
• Rotatable Bonds: 29
• Heavy Atoms: 223
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3293.63
LogP ≤ 5	28.21
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	46

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-ethyl-7-fluoroindazol-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;tert-butyl 4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-7-fluoroindazol-5-yl]-3-(trifluoromethyl)piperazine-1-carboxylate;2-chloro-1-(3-hydroxyazetidin-1-yl)ethanone;bis(2-[[2-ethyl-7-fluoro-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-2-(trifluoromethyl)piperazin-1-yl]indazol-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile);2-[[2-ethyl-7-fluoro-5-[2-(trifluoromethyl)piperazin-1-yl]indazol-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-(trifluoromethyl)piperidine?

The IUPAC name of 2-[(5-bromo-2-ethyl-7-fluoroindazol-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;tert-butyl 4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-7-fluoroindazol-5-yl]-3-(trifluoromethyl)piperazine-1-carboxylate;2-chloro-1-(3-hydroxyazetidin-1-yl)ethanone;bis(2-[[2-ethyl-7-fluoro-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-2-(trifluoromethyl)piperazin-1-yl]indazol-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile);2-[[2-ethyl-7-fluoro-5-[2-(trifluoromethyl)piperazin-1-yl]indazol-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-(trifluoromethyl)piperidine (CID 161381660) is 2-[(5-bromo-2-ethyl-7-fluoroindazol-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;tert-butyl 4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-7-fluoroindazol-5-yl]-3-(trifluoromethyl)piperazine-1-carboxylate;2-chloro-1-(3-hydroxyazetidin-1-yl)ethanone;bis(2-[[2-ethyl-7-fluoro-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-2-(trifluoromethyl)piperazin-1-yl]indazol-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile);2-[[2-ethyl-7-fluoro-5-[2-(trifluoromethyl)piperazin-1-yl]indazol-3-yl]-methylamino]-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)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;tert-butyl 4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-7-fluoroindazol-5-yl]-3-(trifluoromethyl)piperazine-1-carboxylate;2-chloro-1-(3-hydroxyazetidin-1-yl)ethanone;bis(2-[[2-ethyl-7-fluoro-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-2-(trifluoromethyl)piperazin-1-yl]indazol-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile);2-[[2-ethyl-7-fluoro-5-[2-(trifluoromethyl)piperazin-1-yl]indazol-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-(trifluoromethyl)piperidine?

The canonical SMILES for 2-[(5-bromo-2-ethyl-7-fluoroindazol-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;tert-butyl 4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-7-fluoroindazol-5-yl]-3-(trifluoromethyl)piperazine-1-carboxylate;2-chloro-1-(3-hydroxyazetidin-1-yl)ethanone;bis(2-[[2-ethyl-7-fluoro-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-2-(trifluoromethyl)piperazin-1-yl]indazol-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile);2-[[2-ethyl-7-fluoro-5-[2-(trifluoromethyl)piperazin-1-yl]indazol-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-(trifluoromethyl)piperidine is CCn1nc2c(F)cc(Br)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.CCn1nc2c(F)cc(N3CCN(C(=O)OC(C)(C)C)CC3C(F)(F)F)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.CCn1nc2c(F)cc(N3CCN(CC(=O)N4CC(O)C4)CC3C(F)(F)F)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.CCn1nc2c(F)cc(N3CCN(CC(=O)N4CC(O)C4)CC3C(F)(F)F)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.CCn1nc2c(F)cc(N3CCNCC3C(F)(F)F)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.FC(F)(F)C1CCCCN1.O=C(CCl)N1CC(O)C1.

What is the InChIKey of 2-[(5-bromo-2-ethyl-7-fluoroindazol-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;tert-butyl 4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-7-fluoroindazol-5-yl]-3-(trifluoromethyl)piperazine-1-carboxylate;2-chloro-1-(3-hydroxyazetidin-1-yl)ethanone;bis(2-[[2-ethyl-7-fluoro-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-2-(trifluoromethyl)piperazin-1-yl]indazol-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile);2-[[2-ethyl-7-fluoro-5-[2-(trifluoromethyl)piperazin-1-yl]indazol-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-(trifluoromethyl)piperidine?

The InChIKey is VRUMTPZXCQCIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C30H29F5N8O2S.C30H30F5N7O2S.C25H22F5N7S.C20H14BrF2N5S.C6H10F3N.C5H8ClNO2/c2*1-3-43-28(39(2)29-37-26(23(12-36)46-29)17-4-6-18(31)7-5-17)21-10-19(11-22(32)27(21)38-43)42-9-8-40(15-24(42)30(33,34)35)16-25(45)41-13-20(44)14-41;1-6-42-26(39(5)27-37-24(22(15-36)45-27)17-7-9-18(31)10-8-17)20-13-19(14-21(32)25(20)38-42)41-12-11-40(16-23(41)30(33,34)35)28(43)44-29(2,3)4;1-3-37-23(35(2)24-33-21(19(12-31)38-24)14-4-6-15(26)7-5-14)17-10-16(11-18(27)22(17)34-37)36-9-8-32-13-20(36)25(28,29)30;1-3-28-19(14-8-12(21)9-15(23)18(14)26-28)27(2)20-25-17(16(10-24)29-20)11-4-6-13(22)7-5-11;7-6(8,9)5-3-1-2-4-10-5;6-1-5(9)7-2-4(8)3-7/h2*4-7,10-11,20,24,44H,3,8-9,13-16H2,1-2H3;7-10,13-14,23H,6,11-12,16H2,1-5H3;4-7,10-11,20,32H,3,8-9,13H2,1-2H3;4-9H,3H2,1-2H3;5,10H,1-4H2;4,8H,1-3H2.

What are the key properties of 2-[(5-bromo-2-ethyl-7-fluoroindazol-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;tert-butyl 4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-7-fluoroindazol-5-yl]-3-(trifluoromethyl)piperazine-1-carboxylate;2-chloro-1-(3-hydroxyazetidin-1-yl)ethanone;bis(2-[[2-ethyl-7-fluoro-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-2-(trifluoromethyl)piperazin-1-yl]indazol-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile);2-[[2-ethyl-7-fluoro-5-[2-(trifluoromethyl)piperazin-1-yl]indazol-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-(trifluoromethyl)piperidine?

2-[(5-bromo-2-ethyl-7-fluoroindazol-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;tert-butyl 4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-7-fluoroindazol-5-yl]-3-(trifluoromethyl)piperazine-1-carboxylate;2-chloro-1-(3-hydroxyazetidin-1-yl)ethanone;bis(2-[[2-ethyl-7-fluoro-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-2-(trifluoromethyl)piperazin-1-yl]indazol-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile);2-[[2-ethyl-7-fluoro-5-[2-(trifluoromethyl)piperazin-1-yl]indazol-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-(trifluoromethyl)piperidine has a molecular weight of 3293.63 g/mol, XLogP of 28.21, 29 rotatable bonds, 5 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5-bromo-2-ethyl-7-fluoroindazol-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;tert-butyl 4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-7-fluoroindazol-5-yl]-3-(trifluoromethyl)piperazine-1-carboxylate;2-chloro-1-(3-hydroxyazetidin-1-yl)ethanone;bis(2-[[2-ethyl-7-fluoro-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-2-(trifluoromethyl)piperazin-1-yl]indazol-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile);2-[[2-ethyl-7-fluoro-5-[2-(trifluoromethyl)piperazin-1-yl]indazol-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-(trifluoromethyl)piperidine is sourced from PubChem (CID 161381660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).