5-bromo-2-ethyl-7-fluoroindazol-3-amine;2-[(5-bromo-2-ethyl-7-fluoroindazol-3-yl)amino]-4-(3,4-difluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(5-bromo-2-ethyl-7-fluoroindazol-3-yl)-ethylamino]-4-(3,4-difluorophenyl)-1,3-thiazole-5-carbonitrile;2-chloro-4-(3,4-difluorophenyl)-1,3-thiazole-5-carbonitrile;2-chloro-1-(3-hydroxyazetidin-1-yl)ethanone;4-(3,4-difluorophenyl)-2-[ethyl-(2-ethyl-7-fluoro-5-piperazin-1-ylindazol-3-yl)amino]-1,3-thiazole-5-carbonitrile;4-(3,4-difluorophenyl)-2-[ethyl-(2-ethyl-7-fluoro-5-piperidin-1-ylindazol-3-yl)amino]-1,3-thiazole-5-carbonitrile;methane;piperidine

C125H126Br3Cl2F15N30O2S5 — CID 158772364

About 5-bromo-2-ethyl-7-fluoroindazol-3-amine;2-[(5-bromo-2-ethyl-7-fluoroindazol-3-yl)amino]-4-(3,4-difluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(5-bromo-2-ethyl-7-fluoroindazol-3-yl)-ethylamino]-4-(3,4-difluorophenyl)-1,3-thiazole-5-carbonitrile;2-chloro-4-(3,4-difluorophenyl)-1,3-thiazole-5-carbonitrile;2-chloro-1-(3-hydroxyazetidin-1-yl)ethanone;4-(3,4-difluorophenyl)-2-[ethyl-(2-ethyl-7-fluoro-5-piperazin-1-ylindazol-3-yl)amino]-1,3-thiazole-5-carbonitrile;4-(3,4-difluorophenyl)-2-[ethyl-(2-ethyl-7-fluoro-5-piperidin-1-ylindazol-3-yl)amino]-1,3-thiazole-5-carbonitrile;methane;piperidine

5-bromo-2-ethyl-7-fluoroindazol-3-amine;2-[(5-bromo-2-ethyl-7-fluoroindazol-3-yl)amino]-4-(3,4-difluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(5-bromo-2-ethyl-7-fluoroindazol-3-yl)-ethylamino]-4-(3,4-difluorophenyl)-1,3-thiazole-5-carbonitrile;2-chloro-4-(3,4-difluorophenyl)-1,3-thiazole-5-carbonitrile;2-chloro-1-(3-hydroxyazetidin-1-yl)ethanone;4-(3,4-difluorophenyl)-2-[ethyl-(2-ethyl-7-fluoro-5-piperazin-1-ylindazol-3-yl)amino]-1,3-thiazole-5-carbonitrile;4-(3,4-difluorophenyl)-2-[ethyl-(2-ethyl-7-fluoro-5-piperidin-1-ylindazol-3-yl)amino]-1,3-thiazole-5-carbonitrile;methane;piperidine (PubChem CID 158772364) has the molecular formula C125H126Br3Cl2F15N30O2S5 and a molecular weight of 2836.51 g/mol. Its IUPAC name is 5-bromo-2-ethyl-7-fluoroindazol-3-amine;2-[(5-bromo-2-ethyl-7-fluoroindazol-3-yl)amino]-4-(3,4-difluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(5-bromo-2-ethyl-7-fluoroindazol-3-yl)-ethylamino]-4-(3,4-difluorophenyl)-1,3-thiazole-5-carbonitrile;2-chloro-4-(3,4-difluorophenyl)-1,3-thiazole-5-carbonitrile;2-chloro-1-(3-hydroxyazetidin-1-yl)ethanone;4-(3,4-difluorophenyl)-2-[ethyl-(2-ethyl-7-fluoro-5-piperazin-1-ylindazol-3-yl)amino]-1,3-thiazole-5-carbonitrile;4-(3,4-difluorophenyl)-2-[ethyl-(2-ethyl-7-fluoro-5-piperidin-1-ylindazol-3-yl)amino]-1,3-thiazole-5-carbonitrile;methane;piperidine.

Molecular Properties

• Compound Name: 5-bromo-2-ethyl-7-fluoroindazol-3-amine;2-[(5-bromo-2-ethyl-7-fluoroindazol-3-yl)amino]-4-(3,4-difluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(5-bromo-2-ethyl-7-fluoroindazol-3-yl)-ethylamino]-4-(3,4-difluorophenyl)-1,3-thiazole-5-carbonitrile;2-chloro-4-(3,4-difluorophenyl)-1,3-thiazole-5-carbonitrile;2-chloro-1-(3-hydroxyazetidin-1-yl)ethanone;4-(3,4-difluorophenyl)-2-[ethyl-(2-ethyl-7-fluoro-5-piperazin-1-ylindazol-3-yl)amino]-1,3-thiazole-5-carbonitrile;4-(3,4-difluorophenyl)-2-[ethyl-(2-ethyl-7-fluoro-5-piperidin-1-ylindazol-3-yl)amino]-1,3-thiazole-5-carbonitrile;methane;piperidine
• PubChem CID: 158772364
• Molecular Formula: C125H126Br3Cl2F15N30O2S5
• Molecular Weight: 2836.51 g/mol
• Exact Mass: 2830.60
• IUPAC Name: 5-bromo-2-ethyl-7-fluoroindazol-3-amine;2-[(5-bromo-2-ethyl-7-fluoroindazol-3-yl)amino]-4-(3,4-difluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(5-bromo-2-ethyl-7-fluoroindazol-3-yl)-ethylamino]-4-(3,4-difluorophenyl)-1,3-thiazole-5-carbonitrile;2-chloro-4-(3,4-difluorophenyl)-1,3-thiazole-5-carbonitrile;2-chloro-1-(3-hydroxyazetidin-1-yl)ethanone;4-(3,4-difluorophenyl)-2-[ethyl-(2-ethyl-7-fluoro-5-piperazin-1-ylindazol-3-yl)amino]-1,3-thiazole-5-carbonitrile;4-(3,4-difluorophenyl)-2-[ethyl-(2-ethyl-7-fluoro-5-piperidin-1-ylindazol-3-yl)amino]-1,3-thiazole-5-carbonitrile;methane;piperidine
• SMILES: C.C.C.C.C.C1CCNCC1.CCN(c1nc(-c2ccc(F)c(F)c2)c(C#N)s1)c1c2cc(Br)cc(F)c2nn1CC.CCN(c1nc(-c2ccc(F)c(F)c2)c(C#N)s1)c1c2cc(N3CCCCC3)cc(F)c2nn1CC.CCN(c1nc(-c2ccc(F)c(F)c2)c(C#N)s1)c1c2cc(N3CCNCC3)cc(F)c2nn1CC.CCn1nc2c(F)cc(Br)cc2c1N.CCn1nc2c(F)cc(Br)cc2c1Nc1nc(-c2ccc(F)c(F)c2)c(C#N)s1.N#Cc1sc(Cl)nc1-c1ccc(F)c(F)c1.O=C(CCl)N1CC(O)C1
• InChI: InChI=1S/C26H25F3N6S.C25H24F3N7S.C21H15BrF3N5S.C19H11BrF3N5S.C10H3ClF2N2S.C9H9BrFN3.C5H8ClNO2.C5H11N.5CH4/c1-3-34(26-31-23(22(15-30)36-26)16-8-9-19(27)20(28)12-16)25-18-13-17(33-10-6-5-7-11-33)14-21(29)24(18)32-35(25)4-2;1-3-34(25-31-22(21(14-29)36-25)15-5-6-18(26)19(27)11-15)24-17-12-16(33-9-7-30-8-10-33)13-20(28)23(17)32-35(24)4-2;1-3-29(20-13-8-12(22)9-16(25)19(13)28-30(20)4-2)21-27-18(17(10-26)31-21)11-5-6-14(23)15(24)7-11;1-2-28-18(11-6-10(20)7-14(23)17(11)27-28)26-19-25-16(15(8-24)29-19)9-3-4-12(21)13(22)5-9;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;6-1-5(9)7-2-4(8)3-7;1-2-4-6-5-3-1;;;;;/h8-9,12-14H,3-7,10-11H2,1-2H3;5-6,11-13,30H,3-4,7-10H2,1-2H3;5-9H,3-4H2,1-2H3;3-7H,2H2,1H3,(H,25,26);1-3H;3-4H,2,12H2,1H3;4,8H,1-3H2;6H,1-5H2;5*1H4
• InChIKey: IQAOIFOIPYLDGF-UHFFFAOYSA-N
• XLogP: 33.54
• TPSA: 391.35 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 36
• Rotatable Bonds: 24
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2836.51
LogP ≤ 5	33.54
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

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

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)amino]-4-(3,4-difluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(5-bromo-2-ethyl-7-fluoroindazol-3-yl)-ethylamino]-4-(3,4-difluorophenyl)-1,3-thiazole-5-carbonitrile;2-chloro-4-(3,4-difluorophenyl)-1,3-thiazole-5-carbonitrile;2-chloro-1-(3-hydroxyazetidin-1-yl)ethanone;4-(3,4-difluorophenyl)-2-[ethyl-(2-ethyl-7-fluoro-5-piperazin-1-ylindazol-3-yl)amino]-1,3-thiazole-5-carbonitrile;4-(3,4-difluorophenyl)-2-[ethyl-(2-ethyl-7-fluoro-5-piperidin-1-ylindazol-3-yl)amino]-1,3-thiazole-5-carbonitrile;methane;piperidine?

The IUPAC name of 5-bromo-2-ethyl-7-fluoroindazol-3-amine;2-[(5-bromo-2-ethyl-7-fluoroindazol-3-yl)amino]-4-(3,4-difluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(5-bromo-2-ethyl-7-fluoroindazol-3-yl)-ethylamino]-4-(3,4-difluorophenyl)-1,3-thiazole-5-carbonitrile;2-chloro-4-(3,4-difluorophenyl)-1,3-thiazole-5-carbonitrile;2-chloro-1-(3-hydroxyazetidin-1-yl)ethanone;4-(3,4-difluorophenyl)-2-[ethyl-(2-ethyl-7-fluoro-5-piperazin-1-ylindazol-3-yl)amino]-1,3-thiazole-5-carbonitrile;4-(3,4-difluorophenyl)-2-[ethyl-(2-ethyl-7-fluoro-5-piperidin-1-ylindazol-3-yl)amino]-1,3-thiazole-5-carbonitrile;methane;piperidine (CID 158772364) is 5-bromo-2-ethyl-7-fluoroindazol-3-amine;2-[(5-bromo-2-ethyl-7-fluoroindazol-3-yl)amino]-4-(3,4-difluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(5-bromo-2-ethyl-7-fluoroindazol-3-yl)-ethylamino]-4-(3,4-difluorophenyl)-1,3-thiazole-5-carbonitrile;2-chloro-4-(3,4-difluorophenyl)-1,3-thiazole-5-carbonitrile;2-chloro-1-(3-hydroxyazetidin-1-yl)ethanone;4-(3,4-difluorophenyl)-2-[ethyl-(2-ethyl-7-fluoro-5-piperazin-1-ylindazol-3-yl)amino]-1,3-thiazole-5-carbonitrile;4-(3,4-difluorophenyl)-2-[ethyl-(2-ethyl-7-fluoro-5-piperidin-1-ylindazol-3-yl)amino]-1,3-thiazole-5-carbonitrile;methane;piperidine.

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

The canonical SMILES for 5-bromo-2-ethyl-7-fluoroindazol-3-amine;2-[(5-bromo-2-ethyl-7-fluoroindazol-3-yl)amino]-4-(3,4-difluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(5-bromo-2-ethyl-7-fluoroindazol-3-yl)-ethylamino]-4-(3,4-difluorophenyl)-1,3-thiazole-5-carbonitrile;2-chloro-4-(3,4-difluorophenyl)-1,3-thiazole-5-carbonitrile;2-chloro-1-(3-hydroxyazetidin-1-yl)ethanone;4-(3,4-difluorophenyl)-2-[ethyl-(2-ethyl-7-fluoro-5-piperazin-1-ylindazol-3-yl)amino]-1,3-thiazole-5-carbonitrile;4-(3,4-difluorophenyl)-2-[ethyl-(2-ethyl-7-fluoro-5-piperidin-1-ylindazol-3-yl)amino]-1,3-thiazole-5-carbonitrile;methane;piperidine is C.C.C.C.C.C1CCNCC1.CCN(c1nc(-c2ccc(F)c(F)c2)c(C#N)s1)c1c2cc(Br)cc(F)c2nn1CC.CCN(c1nc(-c2ccc(F)c(F)c2)c(C#N)s1)c1c2cc(N3CCCCC3)cc(F)c2nn1CC.CCN(c1nc(-c2ccc(F)c(F)c2)c(C#N)s1)c1c2cc(N3CCNCC3)cc(F)c2nn1CC.CCn1nc2c(F)cc(Br)cc2c1N.CCn1nc2c(F)cc(Br)cc2c1Nc1nc(-c2ccc(F)c(F)c2)c(C#N)s1.N#Cc1sc(Cl)nc1-c1ccc(F)c(F)c1.O=C(CCl)N1CC(O)C1.

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

The InChIKey is IQAOIFOIPYLDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N6S.C25H24F3N7S.C21H15BrF3N5S.C19H11BrF3N5S.C10H3ClF2N2S.C9H9BrFN3.C5H8ClNO2.C5H11N.5CH4/c1-3-34(26-31-23(22(15-30)36-26)16-8-9-19(27)20(28)12-16)25-18-13-17(33-10-6-5-7-11-33)14-21(29)24(18)32-35(25)4-2;1-3-34(25-31-22(21(14-29)36-25)15-5-6-18(26)19(27)11-15)24-17-12-16(33-9-7-30-8-10-33)13-20(28)23(17)32-35(24)4-2;1-3-29(20-13-8-12(22)9-16(25)19(13)28-30(20)4-2)21-27-18(17(10-26)31-21)11-5-6-14(23)15(24)7-11;1-2-28-18(11-6-10(20)7-14(23)17(11)27-28)26-19-25-16(15(8-24)29-19)9-3-4-12(21)13(22)5-9;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;6-1-5(9)7-2-4(8)3-7;1-2-4-6-5-3-1;;;;;/h8-9,12-14H,3-7,10-11H2,1-2H3;5-6,11-13,30H,3-4,7-10H2,1-2H3;5-9H,3-4H2,1-2H3;3-7H,2H2,1H3,(H,25,26);1-3H;3-4H,2,12H2,1H3;4,8H,1-3H2;6H,1-5H2;5*1H4.

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

5-bromo-2-ethyl-7-fluoroindazol-3-amine;2-[(5-bromo-2-ethyl-7-fluoroindazol-3-yl)amino]-4-(3,4-difluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(5-bromo-2-ethyl-7-fluoroindazol-3-yl)-ethylamino]-4-(3,4-difluorophenyl)-1,3-thiazole-5-carbonitrile;2-chloro-4-(3,4-difluorophenyl)-1,3-thiazole-5-carbonitrile;2-chloro-1-(3-hydroxyazetidin-1-yl)ethanone;4-(3,4-difluorophenyl)-2-[ethyl-(2-ethyl-7-fluoro-5-piperazin-1-ylindazol-3-yl)amino]-1,3-thiazole-5-carbonitrile;4-(3,4-difluorophenyl)-2-[ethyl-(2-ethyl-7-fluoro-5-piperidin-1-ylindazol-3-yl)amino]-1,3-thiazole-5-carbonitrile;methane;piperidine has a molecular weight of 2836.51 g/mol, XLogP of 33.54, 24 rotatable bonds, 5 hydrogen bond donors, and 36 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)amino]-4-(3,4-difluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(5-bromo-2-ethyl-7-fluoroindazol-3-yl)-ethylamino]-4-(3,4-difluorophenyl)-1,3-thiazole-5-carbonitrile;2-chloro-4-(3,4-difluorophenyl)-1,3-thiazole-5-carbonitrile;2-chloro-1-(3-hydroxyazetidin-1-yl)ethanone;4-(3,4-difluorophenyl)-2-[ethyl-(2-ethyl-7-fluoro-5-piperazin-1-ylindazol-3-yl)amino]-1,3-thiazole-5-carbonitrile;4-(3,4-difluorophenyl)-2-[ethyl-(2-ethyl-7-fluoro-5-piperidin-1-ylindazol-3-yl)amino]-1,3-thiazole-5-carbonitrile;methane;piperidine is sourced from PubChem (CID 158772364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).