5-bromo-2-ethyl-7-methylindazol-3-amine;2-[(5-bromo-2-ethyl-7-methylindazol-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;5-bromo-2-fluoro-3-methylbenzaldehyde;5-bromo-2-fluoro-3-methylbenzonitrile;tert-butyl 4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-7-methylindazol-5-yl]piperazine-1-carboxylate;2-chloro-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;ethylhydrazine;oxalic acid;piperidine

C96H99Br4ClF5N21O7S3 — CID 161116949

About 5-bromo-2-ethyl-7-methylindazol-3-amine;2-[(5-bromo-2-ethyl-7-methylindazol-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;5-bromo-2-fluoro-3-methylbenzaldehyde;5-bromo-2-fluoro-3-methylbenzonitrile;tert-butyl 4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-7-methylindazol-5-yl]piperazine-1-carboxylate;2-chloro-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;ethylhydrazine;oxalic acid;piperidine

5-bromo-2-ethyl-7-methylindazol-3-amine;2-[(5-bromo-2-ethyl-7-methylindazol-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;5-bromo-2-fluoro-3-methylbenzaldehyde;5-bromo-2-fluoro-3-methylbenzonitrile;tert-butyl 4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-7-methylindazol-5-yl]piperazine-1-carboxylate;2-chloro-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;ethylhydrazine;oxalic acid;piperidine (PubChem CID 161116949) has the molecular formula C96H99Br4ClF5N21O7S3 and a molecular weight of 2205.25 g/mol. Its IUPAC name is 5-bromo-2-ethyl-7-methylindazol-3-amine;2-[(5-bromo-2-ethyl-7-methylindazol-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;5-bromo-2-fluoro-3-methylbenzaldehyde;5-bromo-2-fluoro-3-methylbenzonitrile;tert-butyl 4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-7-methylindazol-5-yl]piperazine-1-carboxylate;2-chloro-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;ethylhydrazine;oxalic acid;piperidine.

Molecular Properties

• Compound Name: 5-bromo-2-ethyl-7-methylindazol-3-amine;2-[(5-bromo-2-ethyl-7-methylindazol-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;5-bromo-2-fluoro-3-methylbenzaldehyde;5-bromo-2-fluoro-3-methylbenzonitrile;tert-butyl 4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-7-methylindazol-5-yl]piperazine-1-carboxylate;2-chloro-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;ethylhydrazine;oxalic acid;piperidine
• PubChem CID: 161116949
• Molecular Formula: C96H99Br4ClF5N21O7S3
• Molecular Weight: 2205.25 g/mol
• Exact Mass: 2199.35
• IUPAC Name: 5-bromo-2-ethyl-7-methylindazol-3-amine;2-[(5-bromo-2-ethyl-7-methylindazol-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;5-bromo-2-fluoro-3-methylbenzaldehyde;5-bromo-2-fluoro-3-methylbenzonitrile;tert-butyl 4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-7-methylindazol-5-yl]piperazine-1-carboxylate;2-chloro-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;ethylhydrazine;oxalic acid;piperidine
• SMILES: C1CCNCC1.CCNN.CCn1nc2c(C)cc(Br)cc2c1N.CCn1nc2c(C)cc(Br)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.CCn1nc2c(C)cc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.Cc1cc(Br)cc(C#N)c1F.Cc1cc(Br)cc(C=O)c1F.N#Cc1sc(Cl)nc1-c1ccc(F)cc1.O=C(O)C(=O)O
• InChI: InChI=1S/C30H34FN7O2S.C21H17BrFN5S.C10H12BrN3.C10H4ClFN2S.C8H5BrFN.C8H6BrFO.C5H11N.C2H8N2.C2H2O4/c1-7-38-27(35(6)28-33-26(24(18-32)41-28)20-8-10-21(31)11-9-20)23-17-22(16-19(2)25(23)34-38)36-12-14-37(15-13-36)29(39)40-30(3,4)5;1-4-28-20(16-10-14(22)9-12(2)18(16)26-28)27(3)21-25-19(17(11-24)29-21)13-5-7-15(23)8-6-13;1-3-14-10(12)8-5-7(11)4-6(2)9(8)13-14;11-10-14-9(8(5-13)15-10)6-1-3-7(12)4-2-6;2*1-5-2-7(9)3-6(4-11)8(5)10;1-2-4-6-5-3-1;1-2-4-3;3-1(4)2(5)6/h8-11,16-17H,7,12-15H2,1-6H3;5-10H,4H2,1-3H3;4-5H,3,12H2,1-2H3;1-4H;2-3H,1H3;2-4H,1H3;6H,1-5H2;4H,2-3H2,1H3;(H,3,4)(H,5,6)
• InChIKey: VJNBMMDAKDVWMM-UHFFFAOYSA-N
• XLogP: 23.40
• TPSA: 394.32 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 28
• Rotatable Bonds: 13
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2205.25
LogP ≤ 5	23.40
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', '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-ethyl-7-methylindazol-3-amine;2-[(5-bromo-2-ethyl-7-methylindazol-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;5-bromo-2-fluoro-3-methylbenzaldehyde;5-bromo-2-fluoro-3-methylbenzonitrile;tert-butyl 4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-7-methylindazol-5-yl]piperazine-1-carboxylate;2-chloro-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;ethylhydrazine;oxalic acid;piperidine?

The IUPAC name of 5-bromo-2-ethyl-7-methylindazol-3-amine;2-[(5-bromo-2-ethyl-7-methylindazol-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;5-bromo-2-fluoro-3-methylbenzaldehyde;5-bromo-2-fluoro-3-methylbenzonitrile;tert-butyl 4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-7-methylindazol-5-yl]piperazine-1-carboxylate;2-chloro-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;ethylhydrazine;oxalic acid;piperidine (CID 161116949) is 5-bromo-2-ethyl-7-methylindazol-3-amine;2-[(5-bromo-2-ethyl-7-methylindazol-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;5-bromo-2-fluoro-3-methylbenzaldehyde;5-bromo-2-fluoro-3-methylbenzonitrile;tert-butyl 4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-7-methylindazol-5-yl]piperazine-1-carboxylate;2-chloro-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;ethylhydrazine;oxalic acid;piperidine.

What is the SMILES notation for 5-bromo-2-ethyl-7-methylindazol-3-amine;2-[(5-bromo-2-ethyl-7-methylindazol-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;5-bromo-2-fluoro-3-methylbenzaldehyde;5-bromo-2-fluoro-3-methylbenzonitrile;tert-butyl 4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-7-methylindazol-5-yl]piperazine-1-carboxylate;2-chloro-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;ethylhydrazine;oxalic acid;piperidine?

The canonical SMILES for 5-bromo-2-ethyl-7-methylindazol-3-amine;2-[(5-bromo-2-ethyl-7-methylindazol-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;5-bromo-2-fluoro-3-methylbenzaldehyde;5-bromo-2-fluoro-3-methylbenzonitrile;tert-butyl 4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-7-methylindazol-5-yl]piperazine-1-carboxylate;2-chloro-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;ethylhydrazine;oxalic acid;piperidine is C1CCNCC1.CCNN.CCn1nc2c(C)cc(Br)cc2c1N.CCn1nc2c(C)cc(Br)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.CCn1nc2c(C)cc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.Cc1cc(Br)cc(C#N)c1F.Cc1cc(Br)cc(C=O)c1F.N#Cc1sc(Cl)nc1-c1ccc(F)cc1.O=C(O)C(=O)O.

What is the InChIKey of 5-bromo-2-ethyl-7-methylindazol-3-amine;2-[(5-bromo-2-ethyl-7-methylindazol-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;5-bromo-2-fluoro-3-methylbenzaldehyde;5-bromo-2-fluoro-3-methylbenzonitrile;tert-butyl 4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-7-methylindazol-5-yl]piperazine-1-carboxylate;2-chloro-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;ethylhydrazine;oxalic acid;piperidine?

The InChIKey is VJNBMMDAKDVWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34FN7O2S.C21H17BrFN5S.C10H12BrN3.C10H4ClFN2S.C8H5BrFN.C8H6BrFO.C5H11N.C2H8N2.C2H2O4/c1-7-38-27(35(6)28-33-26(24(18-32)41-28)20-8-10-21(31)11-9-20)23-17-22(16-19(2)25(23)34-38)36-12-14-37(15-13-36)29(39)40-30(3,4)5;1-4-28-20(16-10-14(22)9-12(2)18(16)26-28)27(3)21-25-19(17(11-24)29-21)13-5-7-15(23)8-6-13;1-3-14-10(12)8-5-7(11)4-6(2)9(8)13-14;11-10-14-9(8(5-13)15-10)6-1-3-7(12)4-2-6;2*1-5-2-7(9)3-6(4-11)8(5)10;1-2-4-6-5-3-1;1-2-4-3;3-1(4)2(5)6/h8-11,16-17H,7,12-15H2,1-6H3;5-10H,4H2,1-3H3;4-5H,3,12H2,1-2H3;1-4H;2-3H,1H3;2-4H,1H3;6H,1-5H2;4H,2-3H2,1H3;(H,3,4)(H,5,6).

What are the key properties of 5-bromo-2-ethyl-7-methylindazol-3-amine;2-[(5-bromo-2-ethyl-7-methylindazol-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;5-bromo-2-fluoro-3-methylbenzaldehyde;5-bromo-2-fluoro-3-methylbenzonitrile;tert-butyl 4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-7-methylindazol-5-yl]piperazine-1-carboxylate;2-chloro-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;ethylhydrazine;oxalic acid;piperidine?

5-bromo-2-ethyl-7-methylindazol-3-amine;2-[(5-bromo-2-ethyl-7-methylindazol-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;5-bromo-2-fluoro-3-methylbenzaldehyde;5-bromo-2-fluoro-3-methylbenzonitrile;tert-butyl 4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-7-methylindazol-5-yl]piperazine-1-carboxylate;2-chloro-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;ethylhydrazine;oxalic acid;piperidine has a molecular weight of 2205.25 g/mol, XLogP of 23.40, 13 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-2-ethyl-7-methylindazol-3-amine;2-[(5-bromo-2-ethyl-7-methylindazol-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;5-bromo-2-fluoro-3-methylbenzaldehyde;5-bromo-2-fluoro-3-methylbenzonitrile;tert-butyl 4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-7-methylindazol-5-yl]piperazine-1-carboxylate;2-chloro-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;ethylhydrazine;oxalic acid;piperidine is sourced from PubChem (CID 161116949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).