5-bromo-2-ethylpyrazolo[3,4-c]pyridin-3-amine;2-[(5-bromo-2-ethylpyrazolo[3,4-c]pyridin-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-ethylpyrazolo[3,4-c]pyridin-5-yl]piperazine-1-carboxylate;2-chloro-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-chloro-1-(3-hydroxyazetidin-1-yl)ethanone;2-[[2-ethyl-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazolo[3,4-c]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-ethyl-5-piperazin-1-ylpyrazolo[3,4-c]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;piperidine

C126H130Br2Cl2F5N39O6S5 — CID 158133626

About 5-bromo-2-ethylpyrazolo[3,4-c]pyridin-3-amine;2-[(5-bromo-2-ethylpyrazolo[3,4-c]pyridin-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-ethylpyrazolo[3,4-c]pyridin-5-yl]piperazine-1-carboxylate;2-chloro-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-chloro-1-(3-hydroxyazetidin-1-yl)ethanone;2-[[2-ethyl-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazolo[3,4-c]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-ethyl-5-piperazin-1-ylpyrazolo[3,4-c]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;piperidine

5-bromo-2-ethylpyrazolo[3,4-c]pyridin-3-amine;2-[(5-bromo-2-ethylpyrazolo[3,4-c]pyridin-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-ethylpyrazolo[3,4-c]pyridin-5-yl]piperazine-1-carboxylate;2-chloro-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-chloro-1-(3-hydroxyazetidin-1-yl)ethanone;2-[[2-ethyl-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazolo[3,4-c]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-ethyl-5-piperazin-1-ylpyrazolo[3,4-c]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;piperidine (PubChem CID 158133626) has the molecular formula C126H130Br2Cl2F5N39O6S5 and a molecular weight of 2772.73 g/mol. Its IUPAC name is 5-bromo-2-ethylpyrazolo[3,4-c]pyridin-3-amine;2-[(5-bromo-2-ethylpyrazolo[3,4-c]pyridin-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-ethylpyrazolo[3,4-c]pyridin-5-yl]piperazine-1-carboxylate;2-chloro-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-chloro-1-(3-hydroxyazetidin-1-yl)ethanone;2-[[2-ethyl-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazolo[3,4-c]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-ethyl-5-piperazin-1-ylpyrazolo[3,4-c]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;piperidine.

Molecular Properties

• Compound Name: 5-bromo-2-ethylpyrazolo[3,4-c]pyridin-3-amine;2-[(5-bromo-2-ethylpyrazolo[3,4-c]pyridin-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-ethylpyrazolo[3,4-c]pyridin-5-yl]piperazine-1-carboxylate;2-chloro-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-chloro-1-(3-hydroxyazetidin-1-yl)ethanone;2-[[2-ethyl-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazolo[3,4-c]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-ethyl-5-piperazin-1-ylpyrazolo[3,4-c]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;piperidine
• PubChem CID: 158133626
• Molecular Formula: C126H130Br2Cl2F5N39O6S5
• Molecular Weight: 2772.73 g/mol
• Exact Mass: 2767.73
• IUPAC Name: 5-bromo-2-ethylpyrazolo[3,4-c]pyridin-3-amine;2-[(5-bromo-2-ethylpyrazolo[3,4-c]pyridin-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-ethylpyrazolo[3,4-c]pyridin-5-yl]piperazine-1-carboxylate;2-chloro-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-chloro-1-(3-hydroxyazetidin-1-yl)ethanone;2-[[2-ethyl-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazolo[3,4-c]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-ethyl-5-piperazin-1-ylpyrazolo[3,4-c]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;piperidine
• SMILES: C1CCNCC1.CCn1nc2cnc(Br)cc2c1N.CCn1nc2cnc(Br)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.CCn1nc2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.CCn1nc2cnc(N3CCN(CC(=O)N4CC(O)C4)CC3)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.CCn1nc2cnc(N3CCNCC3)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.N#Cc1sc(Cl)nc1-c1ccc(F)cc1.O=C(CCl)N1CC(O)C1
• InChI: InChI=1S/C28H30FN9O2S.C28H31FN8O2S.C23H23FN8S.C19H14BrFN6S.C10H4ClFN2S.C8H9BrN4.C5H8ClNO2.C5H11N/c1-3-38-27(34(2)28-32-26(23(13-30)41-28)18-4-6-19(29)7-5-18)21-12-24(31-14-22(21)33-38)36-10-8-35(9-11-36)17-25(40)37-15-20(39)16-37;1-6-37-25(34(5)26-32-24(22(16-30)40-26)18-7-9-19(29)10-8-18)20-15-23(31-17-21(20)33-37)35-11-13-36(14-12-35)27(38)39-28(2,3)4;1-3-32-22(17-12-20(27-14-18(17)29-32)31-10-8-26-9-11-31)30(2)23-28-21(19(13-25)33-23)15-4-6-16(24)7-5-15;1-3-27-18(13-8-16(20)23-10-14(13)25-27)26(2)19-24-17(15(9-22)28-19)11-4-6-12(21)7-5-11;11-10-14-9(8(5-13)15-10)6-1-3-7(12)4-2-6;1-2-13-8(10)5-3-7(9)11-4-6(5)12-13;6-1-5(9)7-2-4(8)3-7;1-2-4-6-5-3-1/h4-7,12,14,20,39H,3,8-11,15-17H2,1-2H3;7-10,15,17H,6,11-14H2,1-5H3;4-7,12,14,26H,3,8-11H2,1-2H3;4-8,10H,3H2,1-2H3;1-4H;3-4H,2,10H2,1H3;4,8H,1-3H2;6H,1-5H2
• InChIKey: FTBQXZXISOXURQ-UHFFFAOYSA-N
• XLogP: 22.43
• TPSA: 523.57 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 47
• Rotatable Bonds: 24
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2772.73
LogP ≤ 5	22.43
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	47

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-ethylpyrazolo[3,4-c]pyridin-3-amine;2-[(5-bromo-2-ethylpyrazolo[3,4-c]pyridin-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-ethylpyrazolo[3,4-c]pyridin-5-yl]piperazine-1-carboxylate;2-chloro-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-chloro-1-(3-hydroxyazetidin-1-yl)ethanone;2-[[2-ethyl-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazolo[3,4-c]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-ethyl-5-piperazin-1-ylpyrazolo[3,4-c]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;piperidine?

The IUPAC name of 5-bromo-2-ethylpyrazolo[3,4-c]pyridin-3-amine;2-[(5-bromo-2-ethylpyrazolo[3,4-c]pyridin-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-ethylpyrazolo[3,4-c]pyridin-5-yl]piperazine-1-carboxylate;2-chloro-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-chloro-1-(3-hydroxyazetidin-1-yl)ethanone;2-[[2-ethyl-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazolo[3,4-c]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-ethyl-5-piperazin-1-ylpyrazolo[3,4-c]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;piperidine (CID 158133626) is 5-bromo-2-ethylpyrazolo[3,4-c]pyridin-3-amine;2-[(5-bromo-2-ethylpyrazolo[3,4-c]pyridin-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-ethylpyrazolo[3,4-c]pyridin-5-yl]piperazine-1-carboxylate;2-chloro-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-chloro-1-(3-hydroxyazetidin-1-yl)ethanone;2-[[2-ethyl-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazolo[3,4-c]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-ethyl-5-piperazin-1-ylpyrazolo[3,4-c]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;piperidine.

What is the SMILES notation for 5-bromo-2-ethylpyrazolo[3,4-c]pyridin-3-amine;2-[(5-bromo-2-ethylpyrazolo[3,4-c]pyridin-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-ethylpyrazolo[3,4-c]pyridin-5-yl]piperazine-1-carboxylate;2-chloro-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-chloro-1-(3-hydroxyazetidin-1-yl)ethanone;2-[[2-ethyl-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazolo[3,4-c]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-ethyl-5-piperazin-1-ylpyrazolo[3,4-c]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;piperidine?

The canonical SMILES for 5-bromo-2-ethylpyrazolo[3,4-c]pyridin-3-amine;2-[(5-bromo-2-ethylpyrazolo[3,4-c]pyridin-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-ethylpyrazolo[3,4-c]pyridin-5-yl]piperazine-1-carboxylate;2-chloro-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-chloro-1-(3-hydroxyazetidin-1-yl)ethanone;2-[[2-ethyl-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazolo[3,4-c]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-ethyl-5-piperazin-1-ylpyrazolo[3,4-c]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;piperidine is C1CCNCC1.CCn1nc2cnc(Br)cc2c1N.CCn1nc2cnc(Br)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.CCn1nc2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.CCn1nc2cnc(N3CCN(CC(=O)N4CC(O)C4)CC3)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.CCn1nc2cnc(N3CCNCC3)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.N#Cc1sc(Cl)nc1-c1ccc(F)cc1.O=C(CCl)N1CC(O)C1.

What is the InChIKey of 5-bromo-2-ethylpyrazolo[3,4-c]pyridin-3-amine;2-[(5-bromo-2-ethylpyrazolo[3,4-c]pyridin-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-ethylpyrazolo[3,4-c]pyridin-5-yl]piperazine-1-carboxylate;2-chloro-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-chloro-1-(3-hydroxyazetidin-1-yl)ethanone;2-[[2-ethyl-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazolo[3,4-c]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-ethyl-5-piperazin-1-ylpyrazolo[3,4-c]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;piperidine?

The InChIKey is FTBQXZXISOXURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30FN9O2S.C28H31FN8O2S.C23H23FN8S.C19H14BrFN6S.C10H4ClFN2S.C8H9BrN4.C5H8ClNO2.C5H11N/c1-3-38-27(34(2)28-32-26(23(13-30)41-28)18-4-6-19(29)7-5-18)21-12-24(31-14-22(21)33-38)36-10-8-35(9-11-36)17-25(40)37-15-20(39)16-37;1-6-37-25(34(5)26-32-24(22(16-30)40-26)18-7-9-19(29)10-8-18)20-15-23(31-17-21(20)33-37)35-11-13-36(14-12-35)27(38)39-28(2,3)4;1-3-32-22(17-12-20(27-14-18(17)29-32)31-10-8-26-9-11-31)30(2)23-28-21(19(13-25)33-23)15-4-6-16(24)7-5-15;1-3-27-18(13-8-16(20)23-10-14(13)25-27)26(2)19-24-17(15(9-22)28-19)11-4-6-12(21)7-5-11;11-10-14-9(8(5-13)15-10)6-1-3-7(12)4-2-6;1-2-13-8(10)5-3-7(9)11-4-6(5)12-13;6-1-5(9)7-2-4(8)3-7;1-2-4-6-5-3-1/h4-7,12,14,20,39H,3,8-11,15-17H2,1-2H3;7-10,15,17H,6,11-14H2,1-5H3;4-7,12,14,26H,3,8-11H2,1-2H3;4-8,10H,3H2,1-2H3;1-4H;3-4H,2,10H2,1H3;4,8H,1-3H2;6H,1-5H2.

What are the key properties of 5-bromo-2-ethylpyrazolo[3,4-c]pyridin-3-amine;2-[(5-bromo-2-ethylpyrazolo[3,4-c]pyridin-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-ethylpyrazolo[3,4-c]pyridin-5-yl]piperazine-1-carboxylate;2-chloro-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-chloro-1-(3-hydroxyazetidin-1-yl)ethanone;2-[[2-ethyl-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazolo[3,4-c]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-ethyl-5-piperazin-1-ylpyrazolo[3,4-c]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;piperidine?

5-bromo-2-ethylpyrazolo[3,4-c]pyridin-3-amine;2-[(5-bromo-2-ethylpyrazolo[3,4-c]pyridin-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-ethylpyrazolo[3,4-c]pyridin-5-yl]piperazine-1-carboxylate;2-chloro-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-chloro-1-(3-hydroxyazetidin-1-yl)ethanone;2-[[2-ethyl-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazolo[3,4-c]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-ethyl-5-piperazin-1-ylpyrazolo[3,4-c]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;piperidine has a molecular weight of 2772.73 g/mol, XLogP of 22.43, 24 rotatable bonds, 5 hydrogen bond donors, and 47 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-2-ethylpyrazolo[3,4-c]pyridin-3-amine;2-[(5-bromo-2-ethylpyrazolo[3,4-c]pyridin-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-ethylpyrazolo[3,4-c]pyridin-5-yl]piperazine-1-carboxylate;2-chloro-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-chloro-1-(3-hydroxyazetidin-1-yl)ethanone;2-[[2-ethyl-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazolo[3,4-c]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-ethyl-5-piperazin-1-ylpyrazolo[3,4-c]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;piperidine is sourced from PubChem (CID 158133626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).