5-bromo-2,3-difluorobenzonitrile;5-bromo-7-fluoro-2-propan-2-ylindazol-3-amine;2-[(5-bromo-7-fluoro-2-propan-2-ylindazol-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(5-bromo-7-fluoro-2-propan-2-ylindazol-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]-7-fluoro-2-propan-2-ylindazol-5-yl]piperazine-1-carboxylate;2-chloro-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;piperidine;propan-2-ylhydrazine;hydrochloride

C106H102Br4Cl2F10N26O2S4 — CID 158986083

About 5-bromo-2,3-difluorobenzonitrile;5-bromo-7-fluoro-2-propan-2-ylindazol-3-amine;2-[(5-bromo-7-fluoro-2-propan-2-ylindazol-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(5-bromo-7-fluoro-2-propan-2-ylindazol-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]-7-fluoro-2-propan-2-ylindazol-5-yl]piperazine-1-carboxylate;2-chloro-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;piperidine;propan-2-ylhydrazine;hydrochloride

5-bromo-2,3-difluorobenzonitrile;5-bromo-7-fluoro-2-propan-2-ylindazol-3-amine;2-[(5-bromo-7-fluoro-2-propan-2-ylindazol-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(5-bromo-7-fluoro-2-propan-2-ylindazol-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]-7-fluoro-2-propan-2-ylindazol-5-yl]piperazine-1-carboxylate;2-chloro-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;piperidine;propan-2-ylhydrazine;hydrochloride (PubChem CID 158986083) has the molecular formula C106H102Br4Cl2F10N26O2S4 and a molecular weight of 2480.93 g/mol. Its IUPAC name is 5-bromo-2,3-difluorobenzonitrile;5-bromo-7-fluoro-2-propan-2-ylindazol-3-amine;2-[(5-bromo-7-fluoro-2-propan-2-ylindazol-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(5-bromo-7-fluoro-2-propan-2-ylindazol-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]-7-fluoro-2-propan-2-ylindazol-5-yl]piperazine-1-carboxylate;2-chloro-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;piperidine;propan-2-ylhydrazine;hydrochloride.

Molecular Properties

• Compound Name: 5-bromo-2,3-difluorobenzonitrile;5-bromo-7-fluoro-2-propan-2-ylindazol-3-amine;2-[(5-bromo-7-fluoro-2-propan-2-ylindazol-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(5-bromo-7-fluoro-2-propan-2-ylindazol-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]-7-fluoro-2-propan-2-ylindazol-5-yl]piperazine-1-carboxylate;2-chloro-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;piperidine;propan-2-ylhydrazine;hydrochloride
• PubChem CID: 158986083
• Molecular Formula: C106H102Br4Cl2F10N26O2S4
• Molecular Weight: 2480.93 g/mol
• Exact Mass: 2474.35
• IUPAC Name: 5-bromo-2,3-difluorobenzonitrile;5-bromo-7-fluoro-2-propan-2-ylindazol-3-amine;2-[(5-bromo-7-fluoro-2-propan-2-ylindazol-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(5-bromo-7-fluoro-2-propan-2-ylindazol-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]-7-fluoro-2-propan-2-ylindazol-5-yl]piperazine-1-carboxylate;2-chloro-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;piperidine;propan-2-ylhydrazine;hydrochloride
• SMILES: C1CCNCC1.CC(C)NN.CC(C)n1nc2c(F)cc(Br)cc2c1N.CC(C)n1nc2c(F)cc(Br)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.CC(C)n1nc2c(F)cc(Br)cc2c1Nc1nc(-c2ccc(F)cc2)c(C#N)s1.CC(C)n1nc2c(F)cc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.Cl.N#Cc1cc(Br)cc(F)c1F.N#Cc1sc(Cl)nc1-c1ccc(F)cc1
• InChI: InChI=1S/C30H33F2N7O2S.C21H16BrF2N5S.C20H14BrF2N5S.C10H11BrFN3.C10H4ClFN2S.C7H2BrF2N.C5H11N.C3H10N2.ClH/c1-18(2)39-27(36(6)28-34-25(24(17-33)42-28)19-7-9-20(31)10-8-19)22-15-21(16-23(32)26(22)35-39)37-11-13-38(14-12-37)29(40)41-30(3,4)5;1-11(2)29-20(15-8-13(22)9-16(24)19(15)27-29)28(3)21-26-18(17(10-25)30-21)12-4-6-14(23)7-5-12;1-10(2)28-19(14-7-12(21)8-15(23)18(14)27-28)26-20-25-17(16(9-24)29-20)11-3-5-13(22)6-4-11;1-5(2)15-10(13)7-3-6(11)4-8(12)9(7)14-15;11-10-14-9(8(5-13)15-10)6-1-3-7(12)4-2-6;8-5-1-4(3-11)7(10)6(9)2-5;1-2-4-6-5-3-1;1-3(2)5-4;/h7-10,15-16,18H,11-14H2,1-6H3;4-9,11H,1-3H3;3-8,10H,1-2H3,(H,25,26);3-5H,13H2,1-2H3;1-4H;1-2H;6H,1-5H2;3,5H,4H2,1-2H3;1H
• InChIKey: XHJLAAWPFKFFGD-UHFFFAOYSA-N
• XLogP: 29.75
• TPSA: 369.18 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 31
• Rotatable Bonds: 16
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2480.93
LogP ≤ 5	29.75
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2,3-difluorobenzonitrile;5-bromo-7-fluoro-2-propan-2-ylindazol-3-amine;2-[(5-bromo-7-fluoro-2-propan-2-ylindazol-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(5-bromo-7-fluoro-2-propan-2-ylindazol-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]-7-fluoro-2-propan-2-ylindazol-5-yl]piperazine-1-carboxylate;2-chloro-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;piperidine;propan-2-ylhydrazine;hydrochloride?

The IUPAC name of 5-bromo-2,3-difluorobenzonitrile;5-bromo-7-fluoro-2-propan-2-ylindazol-3-amine;2-[(5-bromo-7-fluoro-2-propan-2-ylindazol-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(5-bromo-7-fluoro-2-propan-2-ylindazol-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]-7-fluoro-2-propan-2-ylindazol-5-yl]piperazine-1-carboxylate;2-chloro-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;piperidine;propan-2-ylhydrazine;hydrochloride (CID 158986083) is 5-bromo-2,3-difluorobenzonitrile;5-bromo-7-fluoro-2-propan-2-ylindazol-3-amine;2-[(5-bromo-7-fluoro-2-propan-2-ylindazol-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(5-bromo-7-fluoro-2-propan-2-ylindazol-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]-7-fluoro-2-propan-2-ylindazol-5-yl]piperazine-1-carboxylate;2-chloro-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;piperidine;propan-2-ylhydrazine;hydrochloride.

What is the SMILES notation for 5-bromo-2,3-difluorobenzonitrile;5-bromo-7-fluoro-2-propan-2-ylindazol-3-amine;2-[(5-bromo-7-fluoro-2-propan-2-ylindazol-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(5-bromo-7-fluoro-2-propan-2-ylindazol-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]-7-fluoro-2-propan-2-ylindazol-5-yl]piperazine-1-carboxylate;2-chloro-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;piperidine;propan-2-ylhydrazine;hydrochloride?

The canonical SMILES for 5-bromo-2,3-difluorobenzonitrile;5-bromo-7-fluoro-2-propan-2-ylindazol-3-amine;2-[(5-bromo-7-fluoro-2-propan-2-ylindazol-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(5-bromo-7-fluoro-2-propan-2-ylindazol-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]-7-fluoro-2-propan-2-ylindazol-5-yl]piperazine-1-carboxylate;2-chloro-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;piperidine;propan-2-ylhydrazine;hydrochloride is C1CCNCC1.CC(C)NN.CC(C)n1nc2c(F)cc(Br)cc2c1N.CC(C)n1nc2c(F)cc(Br)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.CC(C)n1nc2c(F)cc(Br)cc2c1Nc1nc(-c2ccc(F)cc2)c(C#N)s1.CC(C)n1nc2c(F)cc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.Cl.N#Cc1cc(Br)cc(F)c1F.N#Cc1sc(Cl)nc1-c1ccc(F)cc1.

What is the InChIKey of 5-bromo-2,3-difluorobenzonitrile;5-bromo-7-fluoro-2-propan-2-ylindazol-3-amine;2-[(5-bromo-7-fluoro-2-propan-2-ylindazol-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(5-bromo-7-fluoro-2-propan-2-ylindazol-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]-7-fluoro-2-propan-2-ylindazol-5-yl]piperazine-1-carboxylate;2-chloro-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;piperidine;propan-2-ylhydrazine;hydrochloride?

The InChIKey is XHJLAAWPFKFFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33F2N7O2S.C21H16BrF2N5S.C20H14BrF2N5S.C10H11BrFN3.C10H4ClFN2S.C7H2BrF2N.C5H11N.C3H10N2.ClH/c1-18(2)39-27(36(6)28-34-25(24(17-33)42-28)19-7-9-20(31)10-8-19)22-15-21(16-23(32)26(22)35-39)37-11-13-38(14-12-37)29(40)41-30(3,4)5;1-11(2)29-20(15-8-13(22)9-16(24)19(15)27-29)28(3)21-26-18(17(10-25)30-21)12-4-6-14(23)7-5-12;1-10(2)28-19(14-7-12(21)8-15(23)18(14)27-28)26-20-25-17(16(9-24)29-20)11-3-5-13(22)6-4-11;1-5(2)15-10(13)7-3-6(11)4-8(12)9(7)14-15;11-10-14-9(8(5-13)15-10)6-1-3-7(12)4-2-6;8-5-1-4(3-11)7(10)6(9)2-5;1-2-4-6-5-3-1;1-3(2)5-4;/h7-10,15-16,18H,11-14H2,1-6H3;4-9,11H,1-3H3;3-8,10H,1-2H3,(H,25,26);3-5H,13H2,1-2H3;1-4H;1-2H;6H,1-5H2;3,5H,4H2,1-2H3;1H.

What are the key properties of 5-bromo-2,3-difluorobenzonitrile;5-bromo-7-fluoro-2-propan-2-ylindazol-3-amine;2-[(5-bromo-7-fluoro-2-propan-2-ylindazol-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(5-bromo-7-fluoro-2-propan-2-ylindazol-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]-7-fluoro-2-propan-2-ylindazol-5-yl]piperazine-1-carboxylate;2-chloro-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;piperidine;propan-2-ylhydrazine;hydrochloride?

5-bromo-2,3-difluorobenzonitrile;5-bromo-7-fluoro-2-propan-2-ylindazol-3-amine;2-[(5-bromo-7-fluoro-2-propan-2-ylindazol-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(5-bromo-7-fluoro-2-propan-2-ylindazol-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]-7-fluoro-2-propan-2-ylindazol-5-yl]piperazine-1-carboxylate;2-chloro-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;piperidine;propan-2-ylhydrazine;hydrochloride has a molecular weight of 2480.93 g/mol, XLogP of 29.75, 16 rotatable bonds, 5 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-2,3-difluorobenzonitrile;5-bromo-7-fluoro-2-propan-2-ylindazol-3-amine;2-[(5-bromo-7-fluoro-2-propan-2-ylindazol-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(5-bromo-7-fluoro-2-propan-2-ylindazol-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]-7-fluoro-2-propan-2-ylindazol-5-yl]piperazine-1-carboxylate;2-chloro-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;piperidine;propan-2-ylhydrazine;hydrochloride is sourced from PubChem (CID 158986083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).