5-bromo-2-ethyl-7-fluoroindazol-3-amine;2-[(5-bromo-2-ethyl-7-fluoroindazol-3-yl)-methylamino]-4-(3,4-difluorophenyl)-1,3-thiazole-5-carbonitrile;2-chloro-4-(3,4-difluorophenyl)-1,3-thiazole-5-carbonitrile;4-(3,4-difluorophenyl)-2-[(2-ethyl-7-fluoro-5-piperidin-1-ylindazol-3-yl)-methylamino]-1,3-thiazole-5-carbonitrile;piperidine

C69H59Br2ClF9N17S3 — CID 159616794

About 5-bromo-2-ethyl-7-fluoroindazol-3-amine;2-[(5-bromo-2-ethyl-7-fluoroindazol-3-yl)-methylamino]-4-(3,4-difluorophenyl)-1,3-thiazole-5-carbonitrile;2-chloro-4-(3,4-difluorophenyl)-1,3-thiazole-5-carbonitrile;4-(3,4-difluorophenyl)-2-[(2-ethyl-7-fluoro-5-piperidin-1-ylindazol-3-yl)-methylamino]-1,3-thiazole-5-carbonitrile;piperidine

5-bromo-2-ethyl-7-fluoroindazol-3-amine;2-[(5-bromo-2-ethyl-7-fluoroindazol-3-yl)-methylamino]-4-(3,4-difluorophenyl)-1,3-thiazole-5-carbonitrile;2-chloro-4-(3,4-difluorophenyl)-1,3-thiazole-5-carbonitrile;4-(3,4-difluorophenyl)-2-[(2-ethyl-7-fluoro-5-piperidin-1-ylindazol-3-yl)-methylamino]-1,3-thiazole-5-carbonitrile;piperidine (PubChem CID 159616794) has the molecular formula C69H59Br2ClF9N17S3 and a molecular weight of 1588.79 g/mol. Its IUPAC name is 5-bromo-2-ethyl-7-fluoroindazol-3-amine;2-[(5-bromo-2-ethyl-7-fluoroindazol-3-yl)-methylamino]-4-(3,4-difluorophenyl)-1,3-thiazole-5-carbonitrile;2-chloro-4-(3,4-difluorophenyl)-1,3-thiazole-5-carbonitrile;4-(3,4-difluorophenyl)-2-[(2-ethyl-7-fluoro-5-piperidin-1-ylindazol-3-yl)-methylamino]-1,3-thiazole-5-carbonitrile;piperidine.

Molecular Properties

• Compound Name: 5-bromo-2-ethyl-7-fluoroindazol-3-amine;2-[(5-bromo-2-ethyl-7-fluoroindazol-3-yl)-methylamino]-4-(3,4-difluorophenyl)-1,3-thiazole-5-carbonitrile;2-chloro-4-(3,4-difluorophenyl)-1,3-thiazole-5-carbonitrile;4-(3,4-difluorophenyl)-2-[(2-ethyl-7-fluoro-5-piperidin-1-ylindazol-3-yl)-methylamino]-1,3-thiazole-5-carbonitrile;piperidine
• PubChem CID: 159616794
• Molecular Formula: C69H59Br2ClF9N17S3
• Molecular Weight: 1588.79 g/mol
• Exact Mass: 1585.22
• IUPAC Name: 5-bromo-2-ethyl-7-fluoroindazol-3-amine;2-[(5-bromo-2-ethyl-7-fluoroindazol-3-yl)-methylamino]-4-(3,4-difluorophenyl)-1,3-thiazole-5-carbonitrile;2-chloro-4-(3,4-difluorophenyl)-1,3-thiazole-5-carbonitrile;4-(3,4-difluorophenyl)-2-[(2-ethyl-7-fluoro-5-piperidin-1-ylindazol-3-yl)-methylamino]-1,3-thiazole-5-carbonitrile;piperidine
• SMILES: C1CCNCC1.CCn1nc2c(F)cc(Br)cc2c1N.CCn1nc2c(F)cc(Br)cc2c1N(C)c1nc(-c2ccc(F)c(F)c2)c(C#N)s1.CCn1nc2c(F)cc(N3CCCCC3)cc2c1N(C)c1nc(-c2ccc(F)c(F)c2)c(C#N)s1.N#Cc1sc(Cl)nc1-c1ccc(F)c(F)c1
• InChI: InChI=1S/C25H23F3N6S.C20H13BrF3N5S.C10H3ClF2N2S.C9H9BrFN3.C5H11N/c1-3-34-24(17-12-16(13-20(28)23(17)31-34)33-9-5-4-6-10-33)32(2)25-30-22(21(14-29)35-25)15-7-8-18(26)19(27)11-15;1-3-29-19(12-7-11(21)8-15(24)18(12)27-29)28(2)20-26-17(16(9-25)30-20)10-4-5-13(22)14(23)6-10;11-10-15-9(8(4-14)16-10)5-1-2-6(12)7(13)3-5;1-2-14-9(12)6-3-5(10)4-7(11)8(6)13-14;1-2-4-6-5-3-1/h7-8,11-13H,3-6,9-10H2,1-2H3;4-8H,3H2,1-2H3;1-3H;3-4H,2,12H2,1H3;6H,1-5H2
• InChIKey: MNJOVNHNKPQGEK-UHFFFAOYSA-N
• XLogP: 19.14
• TPSA: 211.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 20
• Rotatable Bonds: 11
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1588.79
LogP ≤ 5	19.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-ethyl-7-fluoroindazol-3-amine;2-[(5-bromo-2-ethyl-7-fluoroindazol-3-yl)-methylamino]-4-(3,4-difluorophenyl)-1,3-thiazole-5-carbonitrile;2-chloro-4-(3,4-difluorophenyl)-1,3-thiazole-5-carbonitrile;4-(3,4-difluorophenyl)-2-[(2-ethyl-7-fluoro-5-piperidin-1-ylindazol-3-yl)-methylamino]-1,3-thiazole-5-carbonitrile;piperidine?

The IUPAC name of 5-bromo-2-ethyl-7-fluoroindazol-3-amine;2-[(5-bromo-2-ethyl-7-fluoroindazol-3-yl)-methylamino]-4-(3,4-difluorophenyl)-1,3-thiazole-5-carbonitrile;2-chloro-4-(3,4-difluorophenyl)-1,3-thiazole-5-carbonitrile;4-(3,4-difluorophenyl)-2-[(2-ethyl-7-fluoro-5-piperidin-1-ylindazol-3-yl)-methylamino]-1,3-thiazole-5-carbonitrile;piperidine (CID 159616794) is 5-bromo-2-ethyl-7-fluoroindazol-3-amine;2-[(5-bromo-2-ethyl-7-fluoroindazol-3-yl)-methylamino]-4-(3,4-difluorophenyl)-1,3-thiazole-5-carbonitrile;2-chloro-4-(3,4-difluorophenyl)-1,3-thiazole-5-carbonitrile;4-(3,4-difluorophenyl)-2-[(2-ethyl-7-fluoro-5-piperidin-1-ylindazol-3-yl)-methylamino]-1,3-thiazole-5-carbonitrile;piperidine.

What is the SMILES notation for 5-bromo-2-ethyl-7-fluoroindazol-3-amine;2-[(5-bromo-2-ethyl-7-fluoroindazol-3-yl)-methylamino]-4-(3,4-difluorophenyl)-1,3-thiazole-5-carbonitrile;2-chloro-4-(3,4-difluorophenyl)-1,3-thiazole-5-carbonitrile;4-(3,4-difluorophenyl)-2-[(2-ethyl-7-fluoro-5-piperidin-1-ylindazol-3-yl)-methylamino]-1,3-thiazole-5-carbonitrile;piperidine?

The canonical SMILES for 5-bromo-2-ethyl-7-fluoroindazol-3-amine;2-[(5-bromo-2-ethyl-7-fluoroindazol-3-yl)-methylamino]-4-(3,4-difluorophenyl)-1,3-thiazole-5-carbonitrile;2-chloro-4-(3,4-difluorophenyl)-1,3-thiazole-5-carbonitrile;4-(3,4-difluorophenyl)-2-[(2-ethyl-7-fluoro-5-piperidin-1-ylindazol-3-yl)-methylamino]-1,3-thiazole-5-carbonitrile;piperidine is C1CCNCC1.CCn1nc2c(F)cc(Br)cc2c1N.CCn1nc2c(F)cc(Br)cc2c1N(C)c1nc(-c2ccc(F)c(F)c2)c(C#N)s1.CCn1nc2c(F)cc(N3CCCCC3)cc2c1N(C)c1nc(-c2ccc(F)c(F)c2)c(C#N)s1.N#Cc1sc(Cl)nc1-c1ccc(F)c(F)c1.

What is the InChIKey of 5-bromo-2-ethyl-7-fluoroindazol-3-amine;2-[(5-bromo-2-ethyl-7-fluoroindazol-3-yl)-methylamino]-4-(3,4-difluorophenyl)-1,3-thiazole-5-carbonitrile;2-chloro-4-(3,4-difluorophenyl)-1,3-thiazole-5-carbonitrile;4-(3,4-difluorophenyl)-2-[(2-ethyl-7-fluoro-5-piperidin-1-ylindazol-3-yl)-methylamino]-1,3-thiazole-5-carbonitrile;piperidine?

The InChIKey is MNJOVNHNKPQGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N6S.C20H13BrF3N5S.C10H3ClF2N2S.C9H9BrFN3.C5H11N/c1-3-34-24(17-12-16(13-20(28)23(17)31-34)33-9-5-4-6-10-33)32(2)25-30-22(21(14-29)35-25)15-7-8-18(26)19(27)11-15;1-3-29-19(12-7-11(21)8-15(24)18(12)27-29)28(2)20-26-17(16(9-25)30-20)10-4-5-13(22)14(23)6-10;11-10-15-9(8(4-14)16-10)5-1-2-6(12)7(13)3-5;1-2-14-9(12)6-3-5(10)4-7(11)8(6)13-14;1-2-4-6-5-3-1/h7-8,11-13H,3-6,9-10H2,1-2H3;4-8H,3H2,1-2H3;1-3H;3-4H,2,12H2,1H3;6H,1-5H2.

What are the key properties of 5-bromo-2-ethyl-7-fluoroindazol-3-amine;2-[(5-bromo-2-ethyl-7-fluoroindazol-3-yl)-methylamino]-4-(3,4-difluorophenyl)-1,3-thiazole-5-carbonitrile;2-chloro-4-(3,4-difluorophenyl)-1,3-thiazole-5-carbonitrile;4-(3,4-difluorophenyl)-2-[(2-ethyl-7-fluoro-5-piperidin-1-ylindazol-3-yl)-methylamino]-1,3-thiazole-5-carbonitrile;piperidine?

5-bromo-2-ethyl-7-fluoroindazol-3-amine;2-[(5-bromo-2-ethyl-7-fluoroindazol-3-yl)-methylamino]-4-(3,4-difluorophenyl)-1,3-thiazole-5-carbonitrile;2-chloro-4-(3,4-difluorophenyl)-1,3-thiazole-5-carbonitrile;4-(3,4-difluorophenyl)-2-[(2-ethyl-7-fluoro-5-piperidin-1-ylindazol-3-yl)-methylamino]-1,3-thiazole-5-carbonitrile;piperidine has a molecular weight of 1588.79 g/mol, XLogP of 19.14, 11 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-2-ethyl-7-fluoroindazol-3-amine;2-[(5-bromo-2-ethyl-7-fluoroindazol-3-yl)-methylamino]-4-(3,4-difluorophenyl)-1,3-thiazole-5-carbonitrile;2-chloro-4-(3,4-difluorophenyl)-1,3-thiazole-5-carbonitrile;4-(3,4-difluorophenyl)-2-[(2-ethyl-7-fluoro-5-piperidin-1-ylindazol-3-yl)-methylamino]-1,3-thiazole-5-carbonitrile;piperidine is sourced from PubChem (CID 159616794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).