6-(azepan-1-yl)-N'-(cyclohexanecarbonyl)-1-methylpyrazolo[5,4-b]pyridine-3-carbohydrazide;6-(azepan-1-yl)-1-methylpyrazolo[5,4-b]pyridine-3-carboxylic acid;2-[6-(azepan-1-yl)-1-methylpyrazolo[5,4-b]pyridin-3-yl]-5-cyclohexyl-1,3,4-oxadiazole;2-[6-(azepan-1-yl)-1-methylpyrazolo[5,4-b]pyridin-3-yl]-5-piperidin-4-yl-1,3,4-oxadiazole;benzyl 4-(hydrazinecarbonyl)piperidine-1-carboxylate

C90H122N26O9 — CID 159315348

About 6-(azepan-1-yl)-N'-(cyclohexanecarbonyl)-1-methylpyrazolo[5,4-b]pyridine-3-carbohydrazide;6-(azepan-1-yl)-1-methylpyrazolo[5,4-b]pyridine-3-carboxylic acid;2-[6-(azepan-1-yl)-1-methylpyrazolo[5,4-b]pyridin-3-yl]-5-cyclohexyl-1,3,4-oxadiazole;2-[6-(azepan-1-yl)-1-methylpyrazolo[5,4-b]pyridin-3-yl]-5-piperidin-4-yl-1,3,4-oxadiazole;benzyl 4-(hydrazinecarbonyl)piperidine-1-carboxylate

6-(azepan-1-yl)-N'-(cyclohexanecarbonyl)-1-methylpyrazolo[5,4-b]pyridine-3-carbohydrazide;6-(azepan-1-yl)-1-methylpyrazolo[5,4-b]pyridine-3-carboxylic acid;2-[6-(azepan-1-yl)-1-methylpyrazolo[5,4-b]pyridin-3-yl]-5-cyclohexyl-1,3,4-oxadiazole;2-[6-(azepan-1-yl)-1-methylpyrazolo[5,4-b]pyridin-3-yl]-5-piperidin-4-yl-1,3,4-oxadiazole;benzyl 4-(hydrazinecarbonyl)piperidine-1-carboxylate (PubChem CID 159315348) has the molecular formula C90H122N26O9 and a molecular weight of 1712.14 g/mol. Its IUPAC name is 6-(azepan-1-yl)-N'-(cyclohexanecarbonyl)-1-methylpyrazolo[5,4-b]pyridine-3-carbohydrazide;6-(azepan-1-yl)-1-methylpyrazolo[5,4-b]pyridine-3-carboxylic acid;2-[6-(azepan-1-yl)-1-methylpyrazolo[5,4-b]pyridin-3-yl]-5-cyclohexyl-1,3,4-oxadiazole;2-[6-(azepan-1-yl)-1-methylpyrazolo[5,4-b]pyridin-3-yl]-5-piperidin-4-yl-1,3,4-oxadiazole;benzyl 4-(hydrazinecarbonyl)piperidine-1-carboxylate.

Molecular Properties

• Compound Name: 6-(azepan-1-yl)-N'-(cyclohexanecarbonyl)-1-methylpyrazolo[5,4-b]pyridine-3-carbohydrazide;6-(azepan-1-yl)-1-methylpyrazolo[5,4-b]pyridine-3-carboxylic acid;2-[6-(azepan-1-yl)-1-methylpyrazolo[5,4-b]pyridin-3-yl]-5-cyclohexyl-1,3,4-oxadiazole;2-[6-(azepan-1-yl)-1-methylpyrazolo[5,4-b]pyridin-3-yl]-5-piperidin-4-yl-1,3,4-oxadiazole;benzyl 4-(hydrazinecarbonyl)piperidine-1-carboxylate
• PubChem CID: 159315348
• Molecular Formula: C90H122N26O9
• Molecular Weight: 1712.14 g/mol
• Exact Mass: 1710.99
• IUPAC Name: 6-(azepan-1-yl)-N'-(cyclohexanecarbonyl)-1-methylpyrazolo[5,4-b]pyridine-3-carbohydrazide;6-(azepan-1-yl)-1-methylpyrazolo[5,4-b]pyridine-3-carboxylic acid;2-[6-(azepan-1-yl)-1-methylpyrazolo[5,4-b]pyridin-3-yl]-5-cyclohexyl-1,3,4-oxadiazole;2-[6-(azepan-1-yl)-1-methylpyrazolo[5,4-b]pyridin-3-yl]-5-piperidin-4-yl-1,3,4-oxadiazole;benzyl 4-(hydrazinecarbonyl)piperidine-1-carboxylate
• SMILES: Cn1nc(-c2nnc(C3CCCCC3)o2)c2ccc(N3CCCCCC3)nc21.Cn1nc(-c2nnc(C3CCNCC3)o2)c2ccc(N3CCCCCC3)nc21.Cn1nc(C(=O)NNC(=O)C2CCCCC2)c2ccc(N3CCCCCC3)nc21.Cn1nc(C(=O)O)c2ccc(N3CCCCCC3)nc21.NNC(=O)C1CCN(C(=O)OCc2ccccc2)CC1
• InChI: InChI=1S/C21H30N6O2.C21H28N6O.C20H27N7O.C14H18N4O2.C14H19N3O3/c1-26-19-16(11-12-17(22-19)27-13-7-2-3-8-14-27)18(25-26)21(29)24-23-20(28)15-9-5-4-6-10-15;1-26-19-16(11-12-17(22-19)27-13-7-2-3-8-14-27)18(25-26)21-24-23-20(28-21)15-9-5-4-6-10-15;1-26-18-15(6-7-16(22-18)27-12-4-2-3-5-13-27)17(25-26)20-24-23-19(28-20)14-8-10-21-11-9-14;1-17-13-10(12(16-17)14(19)20)6-7-11(15-13)18-8-4-2-3-5-9-18;15-16-13(18)12-6-8-17(9-7-12)14(19)20-10-11-4-2-1-3-5-11/h11-12,15H,2-10,13-14H2,1H3,(H,23,28)(H,24,29);11-12,15H,2-10,13-14H2,1H3;6-7,14,21H,2-5,8-13H2,1H3;6-7H,2-5,8-9H2,1H3,(H,19,20);1-5,12H,6-10,15H2,(H,16,18)
• InChIKey: LDBIRXJKODBIGL-UHFFFAOYSA-N
• XLogP: 13.07
• TPSA: 405.83 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 30
• Rotatable Bonds: 14
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1712.14
LogP ≤ 5	13.07
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyl_hydrazine', '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 6-(azepan-1-yl)-N'-(cyclohexanecarbonyl)-1-methylpyrazolo[5,4-b]pyridine-3-carbohydrazide;6-(azepan-1-yl)-1-methylpyrazolo[5,4-b]pyridine-3-carboxylic acid;2-[6-(azepan-1-yl)-1-methylpyrazolo[5,4-b]pyridin-3-yl]-5-cyclohexyl-1,3,4-oxadiazole;2-[6-(azepan-1-yl)-1-methylpyrazolo[5,4-b]pyridin-3-yl]-5-piperidin-4-yl-1,3,4-oxadiazole;benzyl 4-(hydrazinecarbonyl)piperidine-1-carboxylate?

The IUPAC name of 6-(azepan-1-yl)-N'-(cyclohexanecarbonyl)-1-methylpyrazolo[5,4-b]pyridine-3-carbohydrazide;6-(azepan-1-yl)-1-methylpyrazolo[5,4-b]pyridine-3-carboxylic acid;2-[6-(azepan-1-yl)-1-methylpyrazolo[5,4-b]pyridin-3-yl]-5-cyclohexyl-1,3,4-oxadiazole;2-[6-(azepan-1-yl)-1-methylpyrazolo[5,4-b]pyridin-3-yl]-5-piperidin-4-yl-1,3,4-oxadiazole;benzyl 4-(hydrazinecarbonyl)piperidine-1-carboxylate (CID 159315348) is 6-(azepan-1-yl)-N'-(cyclohexanecarbonyl)-1-methylpyrazolo[5,4-b]pyridine-3-carbohydrazide;6-(azepan-1-yl)-1-methylpyrazolo[5,4-b]pyridine-3-carboxylic acid;2-[6-(azepan-1-yl)-1-methylpyrazolo[5,4-b]pyridin-3-yl]-5-cyclohexyl-1,3,4-oxadiazole;2-[6-(azepan-1-yl)-1-methylpyrazolo[5,4-b]pyridin-3-yl]-5-piperidin-4-yl-1,3,4-oxadiazole;benzyl 4-(hydrazinecarbonyl)piperidine-1-carboxylate.

What is the SMILES notation for 6-(azepan-1-yl)-N'-(cyclohexanecarbonyl)-1-methylpyrazolo[5,4-b]pyridine-3-carbohydrazide;6-(azepan-1-yl)-1-methylpyrazolo[5,4-b]pyridine-3-carboxylic acid;2-[6-(azepan-1-yl)-1-methylpyrazolo[5,4-b]pyridin-3-yl]-5-cyclohexyl-1,3,4-oxadiazole;2-[6-(azepan-1-yl)-1-methylpyrazolo[5,4-b]pyridin-3-yl]-5-piperidin-4-yl-1,3,4-oxadiazole;benzyl 4-(hydrazinecarbonyl)piperidine-1-carboxylate?

The canonical SMILES for 6-(azepan-1-yl)-N'-(cyclohexanecarbonyl)-1-methylpyrazolo[5,4-b]pyridine-3-carbohydrazide;6-(azepan-1-yl)-1-methylpyrazolo[5,4-b]pyridine-3-carboxylic acid;2-[6-(azepan-1-yl)-1-methylpyrazolo[5,4-b]pyridin-3-yl]-5-cyclohexyl-1,3,4-oxadiazole;2-[6-(azepan-1-yl)-1-methylpyrazolo[5,4-b]pyridin-3-yl]-5-piperidin-4-yl-1,3,4-oxadiazole;benzyl 4-(hydrazinecarbonyl)piperidine-1-carboxylate is Cn1nc(-c2nnc(C3CCCCC3)o2)c2ccc(N3CCCCCC3)nc21.Cn1nc(-c2nnc(C3CCNCC3)o2)c2ccc(N3CCCCCC3)nc21.Cn1nc(C(=O)NNC(=O)C2CCCCC2)c2ccc(N3CCCCCC3)nc21.Cn1nc(C(=O)O)c2ccc(N3CCCCCC3)nc21.NNC(=O)C1CCN(C(=O)OCc2ccccc2)CC1.

What is the InChIKey of 6-(azepan-1-yl)-N'-(cyclohexanecarbonyl)-1-methylpyrazolo[5,4-b]pyridine-3-carbohydrazide;6-(azepan-1-yl)-1-methylpyrazolo[5,4-b]pyridine-3-carboxylic acid;2-[6-(azepan-1-yl)-1-methylpyrazolo[5,4-b]pyridin-3-yl]-5-cyclohexyl-1,3,4-oxadiazole;2-[6-(azepan-1-yl)-1-methylpyrazolo[5,4-b]pyridin-3-yl]-5-piperidin-4-yl-1,3,4-oxadiazole;benzyl 4-(hydrazinecarbonyl)piperidine-1-carboxylate?

The InChIKey is LDBIRXJKODBIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6O2.C21H28N6O.C20H27N7O.C14H18N4O2.C14H19N3O3/c1-26-19-16(11-12-17(22-19)27-13-7-2-3-8-14-27)18(25-26)21(29)24-23-20(28)15-9-5-4-6-10-15;1-26-19-16(11-12-17(22-19)27-13-7-2-3-8-14-27)18(25-26)21-24-23-20(28-21)15-9-5-4-6-10-15;1-26-18-15(6-7-16(22-18)27-12-4-2-3-5-13-27)17(25-26)20-24-23-19(28-20)14-8-10-21-11-9-14;1-17-13-10(12(16-17)14(19)20)6-7-11(15-13)18-8-4-2-3-5-9-18;15-16-13(18)12-6-8-17(9-7-12)14(19)20-10-11-4-2-1-3-5-11/h11-12,15H,2-10,13-14H2,1H3,(H,23,28)(H,24,29);11-12,15H,2-10,13-14H2,1H3;6-7,14,21H,2-5,8-13H2,1H3;6-7H,2-5,8-9H2,1H3,(H,19,20);1-5,12H,6-10,15H2,(H,16,18).

What are the key properties of 6-(azepan-1-yl)-N'-(cyclohexanecarbonyl)-1-methylpyrazolo[5,4-b]pyridine-3-carbohydrazide;6-(azepan-1-yl)-1-methylpyrazolo[5,4-b]pyridine-3-carboxylic acid;2-[6-(azepan-1-yl)-1-methylpyrazolo[5,4-b]pyridin-3-yl]-5-cyclohexyl-1,3,4-oxadiazole;2-[6-(azepan-1-yl)-1-methylpyrazolo[5,4-b]pyridin-3-yl]-5-piperidin-4-yl-1,3,4-oxadiazole;benzyl 4-(hydrazinecarbonyl)piperidine-1-carboxylate?

6-(azepan-1-yl)-N'-(cyclohexanecarbonyl)-1-methylpyrazolo[5,4-b]pyridine-3-carbohydrazide;6-(azepan-1-yl)-1-methylpyrazolo[5,4-b]pyridine-3-carboxylic acid;2-[6-(azepan-1-yl)-1-methylpyrazolo[5,4-b]pyridin-3-yl]-5-cyclohexyl-1,3,4-oxadiazole;2-[6-(azepan-1-yl)-1-methylpyrazolo[5,4-b]pyridin-3-yl]-5-piperidin-4-yl-1,3,4-oxadiazole;benzyl 4-(hydrazinecarbonyl)piperidine-1-carboxylate has a molecular weight of 1712.14 g/mol, XLogP of 13.07, 14 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(azepan-1-yl)-N'-(cyclohexanecarbonyl)-1-methylpyrazolo[5,4-b]pyridine-3-carbohydrazide;6-(azepan-1-yl)-1-methylpyrazolo[5,4-b]pyridine-3-carboxylic acid;2-[6-(azepan-1-yl)-1-methylpyrazolo[5,4-b]pyridin-3-yl]-5-cyclohexyl-1,3,4-oxadiazole;2-[6-(azepan-1-yl)-1-methylpyrazolo[5,4-b]pyridin-3-yl]-5-piperidin-4-yl-1,3,4-oxadiazole;benzyl 4-(hydrazinecarbonyl)piperidine-1-carboxylate is sourced from PubChem (CID 159315348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).