2-[(5-bromo-2-ethylpyrazolo[4,3-b]pyridin-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(5-bromo-2-ethylpyrazolo[4,3-b]pyridin-3-yl)-ethylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;tert-butyl 4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-ethylamino]-2-ethylpyrazolo[4,3-b]pyridin-5-yl]piperazine-1-carboxylate;2-chloro-1-(3-hydroxyazetidin-1-yl)ethanone;2-[ethyl-[2-ethyl-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazolo[4,3-b]pyridin-3-yl]amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[ethyl-(2-ethyl-5-piperazin-1-ylpyrazolo[4,3-b]pyridin-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;methane;piperidine

C135H157Br2ClF5N39O6S5 — CID 159960533

About 2-[(5-bromo-2-ethylpyrazolo[4,3-b]pyridin-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(5-bromo-2-ethylpyrazolo[4,3-b]pyridin-3-yl)-ethylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;tert-butyl 4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-ethylamino]-2-ethylpyrazolo[4,3-b]pyridin-5-yl]piperazine-1-carboxylate;2-chloro-1-(3-hydroxyazetidin-1-yl)ethanone;2-[ethyl-[2-ethyl-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazolo[4,3-b]pyridin-3-yl]amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[ethyl-(2-ethyl-5-piperazin-1-ylpyrazolo[4,3-b]pyridin-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;methane;piperidine

2-[(5-bromo-2-ethylpyrazolo[4,3-b]pyridin-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(5-bromo-2-ethylpyrazolo[4,3-b]pyridin-3-yl)-ethylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;tert-butyl 4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-ethylamino]-2-ethylpyrazolo[4,3-b]pyridin-5-yl]piperazine-1-carboxylate;2-chloro-1-(3-hydroxyazetidin-1-yl)ethanone;2-[ethyl-[2-ethyl-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazolo[4,3-b]pyridin-3-yl]amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[ethyl-(2-ethyl-5-piperazin-1-ylpyrazolo[4,3-b]pyridin-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;methane;piperidine (PubChem CID 159960533) has the molecular formula C135H157Br2ClF5N39O6S5 and a molecular weight of 2872.59 g/mol. Its IUPAC name is 2-[(5-bromo-2-ethylpyrazolo[4,3-b]pyridin-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(5-bromo-2-ethylpyrazolo[4,3-b]pyridin-3-yl)-ethylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;tert-butyl 4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-ethylamino]-2-ethylpyrazolo[4,3-b]pyridin-5-yl]piperazine-1-carboxylate;2-chloro-1-(3-hydroxyazetidin-1-yl)ethanone;2-[ethyl-[2-ethyl-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazolo[4,3-b]pyridin-3-yl]amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[ethyl-(2-ethyl-5-piperazin-1-ylpyrazolo[4,3-b]pyridin-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;methane;piperidine.

Molecular Properties

• Compound Name: 2-[(5-bromo-2-ethylpyrazolo[4,3-b]pyridin-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(5-bromo-2-ethylpyrazolo[4,3-b]pyridin-3-yl)-ethylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;tert-butyl 4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-ethylamino]-2-ethylpyrazolo[4,3-b]pyridin-5-yl]piperazine-1-carboxylate;2-chloro-1-(3-hydroxyazetidin-1-yl)ethanone;2-[ethyl-[2-ethyl-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazolo[4,3-b]pyridin-3-yl]amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[ethyl-(2-ethyl-5-piperazin-1-ylpyrazolo[4,3-b]pyridin-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;methane;piperidine
• PubChem CID: 159960533
• Molecular Formula: C135H157Br2ClF5N39O6S5
• Molecular Weight: 2872.59 g/mol
• Exact Mass: 2867.98
• IUPAC Name: 2-[(5-bromo-2-ethylpyrazolo[4,3-b]pyridin-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(5-bromo-2-ethylpyrazolo[4,3-b]pyridin-3-yl)-ethylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;tert-butyl 4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-ethylamino]-2-ethylpyrazolo[4,3-b]pyridin-5-yl]piperazine-1-carboxylate;2-chloro-1-(3-hydroxyazetidin-1-yl)ethanone;2-[ethyl-[2-ethyl-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazolo[4,3-b]pyridin-3-yl]amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[ethyl-(2-ethyl-5-piperazin-1-ylpyrazolo[4,3-b]pyridin-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;methane;piperidine
• SMILES: C.C.C.C.C.C1CCNCC1.CCN(c1nc(-c2ccc(F)cc2)c(C#N)s1)c1c2nc(Br)ccc2nn1CC.CCN(c1nc(-c2ccc(F)cc2)c(C#N)s1)c1c2nc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc2nn1CC.CCN(c1nc(-c2ccc(F)cc2)c(C#N)s1)c1c2nc(N3CCN(CC(=O)N4CC(O)C4)CC3)ccc2nn1CC.CCN(c1nc(-c2ccc(F)cc2)c(C#N)s1)c1c2nc(N3CCNCC3)ccc2nn1CC.CCn1nc2ccc(Br)nc2c1Nc1nc(-c2ccc(F)cc2)c(C#N)s1.O=C(CCl)N1CC(O)C1
• InChI: InChI=1S/C29H32FN9O2S.C29H33FN8O2S.C24H25FN8S.C20H16BrFN6S.C18H12BrFN6S.C5H8ClNO2.C5H11N.5CH4/c1-3-38(29-33-26(23(15-31)42-29)19-5-7-20(30)8-6-19)28-27-22(34-39(28)4-2)9-10-24(32-27)36-13-11-35(12-14-36)18-25(41)37-16-21(40)17-37;1-6-37(27-33-24(22(18-31)41-27)19-8-10-20(30)11-9-19)26-25-21(34-38(26)7-2)12-13-23(32-25)35-14-16-36(17-15-35)28(39)40-29(3,4)5;1-3-32(24-29-21(19(15-26)34-24)16-5-7-17(25)8-6-16)23-22-18(30-33(23)4-2)9-10-20(28-22)31-13-11-27-12-14-31;1-3-27(19-18-14(26-28(19)4-2)9-10-16(21)24-18)20-25-17(15(11-23)29-20)12-5-7-13(22)8-6-12;1-2-26-17(16-12(25-26)7-8-14(19)22-16)24-18-23-15(13(9-21)27-18)10-3-5-11(20)6-4-10;6-1-5(9)7-2-4(8)3-7;1-2-4-6-5-3-1;;;;;/h5-10,21,40H,3-4,11-14,16-18H2,1-2H3;8-13H,6-7,14-17H2,1-5H3;5-10,27H,3-4,11-14H2,1-2H3;5-10H,3-4H2,1-2H3;3-8H,2H2,1H3,(H,23,24);4,8H,1-3H2;6H,1-5H2;5*1H4
• InChIKey: ODGOJHBMMNPOKN-UHFFFAOYSA-N
• XLogP: 26.99
• TPSA: 509.58 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 47
• Rotatable Bonds: 30
• Heavy Atoms: 193
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2872.59
LogP ≤ 5	26.99
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 2-[(5-bromo-2-ethylpyrazolo[4,3-b]pyridin-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(5-bromo-2-ethylpyrazolo[4,3-b]pyridin-3-yl)-ethylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;tert-butyl 4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-ethylamino]-2-ethylpyrazolo[4,3-b]pyridin-5-yl]piperazine-1-carboxylate;2-chloro-1-(3-hydroxyazetidin-1-yl)ethanone;2-[ethyl-[2-ethyl-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazolo[4,3-b]pyridin-3-yl]amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[ethyl-(2-ethyl-5-piperazin-1-ylpyrazolo[4,3-b]pyridin-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;methane;piperidine?

The IUPAC name of 2-[(5-bromo-2-ethylpyrazolo[4,3-b]pyridin-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(5-bromo-2-ethylpyrazolo[4,3-b]pyridin-3-yl)-ethylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;tert-butyl 4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-ethylamino]-2-ethylpyrazolo[4,3-b]pyridin-5-yl]piperazine-1-carboxylate;2-chloro-1-(3-hydroxyazetidin-1-yl)ethanone;2-[ethyl-[2-ethyl-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazolo[4,3-b]pyridin-3-yl]amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[ethyl-(2-ethyl-5-piperazin-1-ylpyrazolo[4,3-b]pyridin-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;methane;piperidine (CID 159960533) is 2-[(5-bromo-2-ethylpyrazolo[4,3-b]pyridin-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(5-bromo-2-ethylpyrazolo[4,3-b]pyridin-3-yl)-ethylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;tert-butyl 4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-ethylamino]-2-ethylpyrazolo[4,3-b]pyridin-5-yl]piperazine-1-carboxylate;2-chloro-1-(3-hydroxyazetidin-1-yl)ethanone;2-[ethyl-[2-ethyl-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazolo[4,3-b]pyridin-3-yl]amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[ethyl-(2-ethyl-5-piperazin-1-ylpyrazolo[4,3-b]pyridin-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;methane;piperidine.

What is the SMILES notation for 2-[(5-bromo-2-ethylpyrazolo[4,3-b]pyridin-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(5-bromo-2-ethylpyrazolo[4,3-b]pyridin-3-yl)-ethylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;tert-butyl 4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-ethylamino]-2-ethylpyrazolo[4,3-b]pyridin-5-yl]piperazine-1-carboxylate;2-chloro-1-(3-hydroxyazetidin-1-yl)ethanone;2-[ethyl-[2-ethyl-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazolo[4,3-b]pyridin-3-yl]amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[ethyl-(2-ethyl-5-piperazin-1-ylpyrazolo[4,3-b]pyridin-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;methane;piperidine?

The canonical SMILES for 2-[(5-bromo-2-ethylpyrazolo[4,3-b]pyridin-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(5-bromo-2-ethylpyrazolo[4,3-b]pyridin-3-yl)-ethylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;tert-butyl 4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-ethylamino]-2-ethylpyrazolo[4,3-b]pyridin-5-yl]piperazine-1-carboxylate;2-chloro-1-(3-hydroxyazetidin-1-yl)ethanone;2-[ethyl-[2-ethyl-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazolo[4,3-b]pyridin-3-yl]amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[ethyl-(2-ethyl-5-piperazin-1-ylpyrazolo[4,3-b]pyridin-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;methane;piperidine is C.C.C.C.C.C1CCNCC1.CCN(c1nc(-c2ccc(F)cc2)c(C#N)s1)c1c2nc(Br)ccc2nn1CC.CCN(c1nc(-c2ccc(F)cc2)c(C#N)s1)c1c2nc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc2nn1CC.CCN(c1nc(-c2ccc(F)cc2)c(C#N)s1)c1c2nc(N3CCN(CC(=O)N4CC(O)C4)CC3)ccc2nn1CC.CCN(c1nc(-c2ccc(F)cc2)c(C#N)s1)c1c2nc(N3CCNCC3)ccc2nn1CC.CCn1nc2ccc(Br)nc2c1Nc1nc(-c2ccc(F)cc2)c(C#N)s1.O=C(CCl)N1CC(O)C1.

What is the InChIKey of 2-[(5-bromo-2-ethylpyrazolo[4,3-b]pyridin-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(5-bromo-2-ethylpyrazolo[4,3-b]pyridin-3-yl)-ethylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;tert-butyl 4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-ethylamino]-2-ethylpyrazolo[4,3-b]pyridin-5-yl]piperazine-1-carboxylate;2-chloro-1-(3-hydroxyazetidin-1-yl)ethanone;2-[ethyl-[2-ethyl-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazolo[4,3-b]pyridin-3-yl]amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[ethyl-(2-ethyl-5-piperazin-1-ylpyrazolo[4,3-b]pyridin-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;methane;piperidine?

The InChIKey is ODGOJHBMMNPOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32FN9O2S.C29H33FN8O2S.C24H25FN8S.C20H16BrFN6S.C18H12BrFN6S.C5H8ClNO2.C5H11N.5CH4/c1-3-38(29-33-26(23(15-31)42-29)19-5-7-20(30)8-6-19)28-27-22(34-39(28)4-2)9-10-24(32-27)36-13-11-35(12-14-36)18-25(41)37-16-21(40)17-37;1-6-37(27-33-24(22(18-31)41-27)19-8-10-20(30)11-9-19)26-25-21(34-38(26)7-2)12-13-23(32-25)35-14-16-36(17-15-35)28(39)40-29(3,4)5;1-3-32(24-29-21(19(15-26)34-24)16-5-7-17(25)8-6-16)23-22-18(30-33(23)4-2)9-10-20(28-22)31-13-11-27-12-14-31;1-3-27(19-18-14(26-28(19)4-2)9-10-16(21)24-18)20-25-17(15(11-23)29-20)12-5-7-13(22)8-6-12;1-2-26-17(16-12(25-26)7-8-14(19)22-16)24-18-23-15(13(9-21)27-18)10-3-5-11(20)6-4-10;6-1-5(9)7-2-4(8)3-7;1-2-4-6-5-3-1;;;;;/h5-10,21,40H,3-4,11-14,16-18H2,1-2H3;8-13H,6-7,14-17H2,1-5H3;5-10,27H,3-4,11-14H2,1-2H3;5-10H,3-4H2,1-2H3;3-8H,2H2,1H3,(H,23,24);4,8H,1-3H2;6H,1-5H2;5*1H4.

What are the key properties of 2-[(5-bromo-2-ethylpyrazolo[4,3-b]pyridin-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(5-bromo-2-ethylpyrazolo[4,3-b]pyridin-3-yl)-ethylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;tert-butyl 4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-ethylamino]-2-ethylpyrazolo[4,3-b]pyridin-5-yl]piperazine-1-carboxylate;2-chloro-1-(3-hydroxyazetidin-1-yl)ethanone;2-[ethyl-[2-ethyl-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazolo[4,3-b]pyridin-3-yl]amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[ethyl-(2-ethyl-5-piperazin-1-ylpyrazolo[4,3-b]pyridin-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;methane;piperidine?

2-[(5-bromo-2-ethylpyrazolo[4,3-b]pyridin-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(5-bromo-2-ethylpyrazolo[4,3-b]pyridin-3-yl)-ethylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;tert-butyl 4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-ethylamino]-2-ethylpyrazolo[4,3-b]pyridin-5-yl]piperazine-1-carboxylate;2-chloro-1-(3-hydroxyazetidin-1-yl)ethanone;2-[ethyl-[2-ethyl-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazolo[4,3-b]pyridin-3-yl]amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[ethyl-(2-ethyl-5-piperazin-1-ylpyrazolo[4,3-b]pyridin-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;methane;piperidine has a molecular weight of 2872.59 g/mol, XLogP of 26.99, 30 rotatable bonds, 5 hydrogen bond donors, and 47 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5-bromo-2-ethylpyrazolo[4,3-b]pyridin-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(5-bromo-2-ethylpyrazolo[4,3-b]pyridin-3-yl)-ethylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;tert-butyl 4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-ethylamino]-2-ethylpyrazolo[4,3-b]pyridin-5-yl]piperazine-1-carboxylate;2-chloro-1-(3-hydroxyazetidin-1-yl)ethanone;2-[ethyl-[2-ethyl-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazolo[4,3-b]pyridin-3-yl]amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[ethyl-(2-ethyl-5-piperazin-1-ylpyrazolo[4,3-b]pyridin-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;methane;piperidine is sourced from PubChem (CID 159960533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).