5-bromo-2-ethyl-3-nitropyrazolo[3,4-b]pyridine;5-bromo-2-ethylpyrazolo[3,4-b]pyridine;5-bromo-1H-pyrazolo[3,4-b]pyridine;2-ethyl-3-nitro-5-piperidin-1-ylpyrazolo[3,4-b]pyridine;2-ethyl-5-piperidin-1-ylpyrazolo[3,4-b]pyridin-3-amine;2-[(2-ethyl-5-piperidin-1-ylpyrazolo[3,4-b]pyridin-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-ethyl-5-piperidin-1-ylpyrazolo[3,4-b]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;piperidine

C100H112Br3F2N35O4S2 — CID 159706275

About 5-bromo-2-ethyl-3-nitropyrazolo[3,4-b]pyridine;5-bromo-2-ethylpyrazolo[3,4-b]pyridine;5-bromo-1H-pyrazolo[3,4-b]pyridine;2-ethyl-3-nitro-5-piperidin-1-ylpyrazolo[3,4-b]pyridine;2-ethyl-5-piperidin-1-ylpyrazolo[3,4-b]pyridin-3-amine;2-[(2-ethyl-5-piperidin-1-ylpyrazolo[3,4-b]pyridin-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-ethyl-5-piperidin-1-ylpyrazolo[3,4-b]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;piperidine

5-bromo-2-ethyl-3-nitropyrazolo[3,4-b]pyridine;5-bromo-2-ethylpyrazolo[3,4-b]pyridine;5-bromo-1H-pyrazolo[3,4-b]pyridine;2-ethyl-3-nitro-5-piperidin-1-ylpyrazolo[3,4-b]pyridine;2-ethyl-5-piperidin-1-ylpyrazolo[3,4-b]pyridin-3-amine;2-[(2-ethyl-5-piperidin-1-ylpyrazolo[3,4-b]pyridin-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-ethyl-5-piperidin-1-ylpyrazolo[3,4-b]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;piperidine (PubChem CID 159706275) has the molecular formula C100H112Br3F2N35O4S2 and a molecular weight of 2210.08 g/mol. Its IUPAC name is 5-bromo-2-ethyl-3-nitropyrazolo[3,4-b]pyridine;5-bromo-2-ethylpyrazolo[3,4-b]pyridine;5-bromo-1H-pyrazolo[3,4-b]pyridine;2-ethyl-3-nitro-5-piperidin-1-ylpyrazolo[3,4-b]pyridine;2-ethyl-5-piperidin-1-ylpyrazolo[3,4-b]pyridin-3-amine;2-[(2-ethyl-5-piperidin-1-ylpyrazolo[3,4-b]pyridin-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-ethyl-5-piperidin-1-ylpyrazolo[3,4-b]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;piperidine.

Molecular Properties

• Compound Name: 5-bromo-2-ethyl-3-nitropyrazolo[3,4-b]pyridine;5-bromo-2-ethylpyrazolo[3,4-b]pyridine;5-bromo-1H-pyrazolo[3,4-b]pyridine;2-ethyl-3-nitro-5-piperidin-1-ylpyrazolo[3,4-b]pyridine;2-ethyl-5-piperidin-1-ylpyrazolo[3,4-b]pyridin-3-amine;2-[(2-ethyl-5-piperidin-1-ylpyrazolo[3,4-b]pyridin-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-ethyl-5-piperidin-1-ylpyrazolo[3,4-b]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;piperidine
• PubChem CID: 159706275
• Molecular Formula: C100H112Br3F2N35O4S2
• Molecular Weight: 2210.08 g/mol
• Exact Mass: 2205.66
• IUPAC Name: 5-bromo-2-ethyl-3-nitropyrazolo[3,4-b]pyridine;5-bromo-2-ethylpyrazolo[3,4-b]pyridine;5-bromo-1H-pyrazolo[3,4-b]pyridine;2-ethyl-3-nitro-5-piperidin-1-ylpyrazolo[3,4-b]pyridine;2-ethyl-5-piperidin-1-ylpyrazolo[3,4-b]pyridin-3-amine;2-[(2-ethyl-5-piperidin-1-ylpyrazolo[3,4-b]pyridin-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-ethyl-5-piperidin-1-ylpyrazolo[3,4-b]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;piperidine
• SMILES: Brc1cnc2[nH]ncc2c1.C1CCNCC1.CCn1cc2cc(Br)cnc2n1.CCn1nc2ncc(Br)cc2c1[N+](=O)[O-].CCn1nc2ncc(N3CCCCC3)cc2c1N.CCn1nc2ncc(N3CCCCC3)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.CCn1nc2ncc(N3CCCCC3)cc2c1Nc1nc(-c2ccc(F)cc2)c(C#N)s1.CCn1nc2ncc(N3CCCCC3)cc2c1[N+](=O)[O-]
• InChI: InChI=1S/C24H24FN7S.C23H22FN7S.C13H17N5O2.C13H19N5.C8H7BrN4O2.C8H8BrN3.C6H4BrN3.C5H11N/c1-3-32-23(19-13-18(15-27-22(19)29-32)31-11-5-4-6-12-31)30(2)24-28-21(20(14-26)33-24)16-7-9-17(25)10-8-16;1-2-31-22(18-12-17(14-26-21(18)29-31)30-10-4-3-5-11-30)28-23-27-20(19(13-25)32-23)15-6-8-16(24)9-7-15;1-2-17-13(18(19)20)11-8-10(9-14-12(11)15-17)16-6-4-3-5-7-16;1-2-18-12(14)11-8-10(9-15-13(11)16-18)17-6-4-3-5-7-17;1-2-12-8(13(14)15)6-3-5(9)4-10-7(6)11-12;1-2-12-5-6-3-7(9)4-10-8(6)11-12;7-5-1-4-2-9-10-6(4)8-3-5;1-2-4-6-5-3-1/h7-10,13,15H,3-6,11-12H2,1-2H3;6-9,12,14H,2-5,10-11H2,1H3,(H,27,28);8-9H,2-7H2,1H3;8-9H,2-7,14H2,1H3;3-4H,2H2,1H3;3-5H,2H2,1H3;1-3H,(H,8,9,10);6H,1-5H2
• InChIKey: MYGGBMAHAGERLX-UHFFFAOYSA-N
• XLogP: 21.85
• TPSA: 451.75 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 38
• Rotatable Bonds: 18
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2210.08
LogP ≤ 5	21.85
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', '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-3-nitropyrazolo[3,4-b]pyridine;5-bromo-2-ethylpyrazolo[3,4-b]pyridine;5-bromo-1H-pyrazolo[3,4-b]pyridine;2-ethyl-3-nitro-5-piperidin-1-ylpyrazolo[3,4-b]pyridine;2-ethyl-5-piperidin-1-ylpyrazolo[3,4-b]pyridin-3-amine;2-[(2-ethyl-5-piperidin-1-ylpyrazolo[3,4-b]pyridin-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-ethyl-5-piperidin-1-ylpyrazolo[3,4-b]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;piperidine?

The IUPAC name of 5-bromo-2-ethyl-3-nitropyrazolo[3,4-b]pyridine;5-bromo-2-ethylpyrazolo[3,4-b]pyridine;5-bromo-1H-pyrazolo[3,4-b]pyridine;2-ethyl-3-nitro-5-piperidin-1-ylpyrazolo[3,4-b]pyridine;2-ethyl-5-piperidin-1-ylpyrazolo[3,4-b]pyridin-3-amine;2-[(2-ethyl-5-piperidin-1-ylpyrazolo[3,4-b]pyridin-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-ethyl-5-piperidin-1-ylpyrazolo[3,4-b]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;piperidine (CID 159706275) is 5-bromo-2-ethyl-3-nitropyrazolo[3,4-b]pyridine;5-bromo-2-ethylpyrazolo[3,4-b]pyridine;5-bromo-1H-pyrazolo[3,4-b]pyridine;2-ethyl-3-nitro-5-piperidin-1-ylpyrazolo[3,4-b]pyridine;2-ethyl-5-piperidin-1-ylpyrazolo[3,4-b]pyridin-3-amine;2-[(2-ethyl-5-piperidin-1-ylpyrazolo[3,4-b]pyridin-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-ethyl-5-piperidin-1-ylpyrazolo[3,4-b]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;piperidine.

What is the SMILES notation for 5-bromo-2-ethyl-3-nitropyrazolo[3,4-b]pyridine;5-bromo-2-ethylpyrazolo[3,4-b]pyridine;5-bromo-1H-pyrazolo[3,4-b]pyridine;2-ethyl-3-nitro-5-piperidin-1-ylpyrazolo[3,4-b]pyridine;2-ethyl-5-piperidin-1-ylpyrazolo[3,4-b]pyridin-3-amine;2-[(2-ethyl-5-piperidin-1-ylpyrazolo[3,4-b]pyridin-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-ethyl-5-piperidin-1-ylpyrazolo[3,4-b]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;piperidine?

The canonical SMILES for 5-bromo-2-ethyl-3-nitropyrazolo[3,4-b]pyridine;5-bromo-2-ethylpyrazolo[3,4-b]pyridine;5-bromo-1H-pyrazolo[3,4-b]pyridine;2-ethyl-3-nitro-5-piperidin-1-ylpyrazolo[3,4-b]pyridine;2-ethyl-5-piperidin-1-ylpyrazolo[3,4-b]pyridin-3-amine;2-[(2-ethyl-5-piperidin-1-ylpyrazolo[3,4-b]pyridin-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-ethyl-5-piperidin-1-ylpyrazolo[3,4-b]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;piperidine is Brc1cnc2[nH]ncc2c1.C1CCNCC1.CCn1cc2cc(Br)cnc2n1.CCn1nc2ncc(Br)cc2c1[N+](=O)[O-].CCn1nc2ncc(N3CCCCC3)cc2c1N.CCn1nc2ncc(N3CCCCC3)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.CCn1nc2ncc(N3CCCCC3)cc2c1Nc1nc(-c2ccc(F)cc2)c(C#N)s1.CCn1nc2ncc(N3CCCCC3)cc2c1[N+](=O)[O-].

What is the InChIKey of 5-bromo-2-ethyl-3-nitropyrazolo[3,4-b]pyridine;5-bromo-2-ethylpyrazolo[3,4-b]pyridine;5-bromo-1H-pyrazolo[3,4-b]pyridine;2-ethyl-3-nitro-5-piperidin-1-ylpyrazolo[3,4-b]pyridine;2-ethyl-5-piperidin-1-ylpyrazolo[3,4-b]pyridin-3-amine;2-[(2-ethyl-5-piperidin-1-ylpyrazolo[3,4-b]pyridin-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-ethyl-5-piperidin-1-ylpyrazolo[3,4-b]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;piperidine?

The InChIKey is MYGGBMAHAGERLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN7S.C23H22FN7S.C13H17N5O2.C13H19N5.C8H7BrN4O2.C8H8BrN3.C6H4BrN3.C5H11N/c1-3-32-23(19-13-18(15-27-22(19)29-32)31-11-5-4-6-12-31)30(2)24-28-21(20(14-26)33-24)16-7-9-17(25)10-8-16;1-2-31-22(18-12-17(14-26-21(18)29-31)30-10-4-3-5-11-30)28-23-27-20(19(13-25)32-23)15-6-8-16(24)9-7-15;1-2-17-13(18(19)20)11-8-10(9-14-12(11)15-17)16-6-4-3-5-7-16;1-2-18-12(14)11-8-10(9-15-13(11)16-18)17-6-4-3-5-7-17;1-2-12-8(13(14)15)6-3-5(9)4-10-7(6)11-12;1-2-12-5-6-3-7(9)4-10-8(6)11-12;7-5-1-4-2-9-10-6(4)8-3-5;1-2-4-6-5-3-1/h7-10,13,15H,3-6,11-12H2,1-2H3;6-9,12,14H,2-5,10-11H2,1H3,(H,27,28);8-9H,2-7H2,1H3;8-9H,2-7,14H2,1H3;3-4H,2H2,1H3;3-5H,2H2,1H3;1-3H,(H,8,9,10);6H,1-5H2.

What are the key properties of 5-bromo-2-ethyl-3-nitropyrazolo[3,4-b]pyridine;5-bromo-2-ethylpyrazolo[3,4-b]pyridine;5-bromo-1H-pyrazolo[3,4-b]pyridine;2-ethyl-3-nitro-5-piperidin-1-ylpyrazolo[3,4-b]pyridine;2-ethyl-5-piperidin-1-ylpyrazolo[3,4-b]pyridin-3-amine;2-[(2-ethyl-5-piperidin-1-ylpyrazolo[3,4-b]pyridin-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-ethyl-5-piperidin-1-ylpyrazolo[3,4-b]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;piperidine?

5-bromo-2-ethyl-3-nitropyrazolo[3,4-b]pyridine;5-bromo-2-ethylpyrazolo[3,4-b]pyridine;5-bromo-1H-pyrazolo[3,4-b]pyridine;2-ethyl-3-nitro-5-piperidin-1-ylpyrazolo[3,4-b]pyridine;2-ethyl-5-piperidin-1-ylpyrazolo[3,4-b]pyridin-3-amine;2-[(2-ethyl-5-piperidin-1-ylpyrazolo[3,4-b]pyridin-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-ethyl-5-piperidin-1-ylpyrazolo[3,4-b]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;piperidine has a molecular weight of 2210.08 g/mol, XLogP of 21.85, 18 rotatable bonds, 4 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-2-ethyl-3-nitropyrazolo[3,4-b]pyridine;5-bromo-2-ethylpyrazolo[3,4-b]pyridine;5-bromo-1H-pyrazolo[3,4-b]pyridine;2-ethyl-3-nitro-5-piperidin-1-ylpyrazolo[3,4-b]pyridine;2-ethyl-5-piperidin-1-ylpyrazolo[3,4-b]pyridin-3-amine;2-[(2-ethyl-5-piperidin-1-ylpyrazolo[3,4-b]pyridin-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-ethyl-5-piperidin-1-ylpyrazolo[3,4-b]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;piperidine is sourced from PubChem (CID 159706275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).