4-(6-chloro-3-pyridinyl)-1-cyclohexyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;1-cyclohexyl-4-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;2,6-dimethylmorpholine

C54H71ClN10O6 — CID 160582595

About 4-(6-chloro-3-pyridinyl)-1-cyclohexyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;1-cyclohexyl-4-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;2,6-dimethylmorpholine

4-(6-chloro-3-pyridinyl)-1-cyclohexyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;1-cyclohexyl-4-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;2,6-dimethylmorpholine (PubChem CID 160582595) has the molecular formula C54H71ClN10O6 and a molecular weight of 991.68 g/mol. Its IUPAC name is 4-(6-chloro-3-pyridinyl)-1-cyclohexyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;1-cyclohexyl-4-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;2,6-dimethylmorpholine.

Molecular Properties

• Compound Name: 4-(6-chloro-3-pyridinyl)-1-cyclohexyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;1-cyclohexyl-4-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;2,6-dimethylmorpholine
• PubChem CID: 160582595
• Molecular Formula: C54H71ClN10O6
• Molecular Weight: 991.68 g/mol
• Exact Mass: 990.52
• IUPAC Name: 4-(6-chloro-3-pyridinyl)-1-cyclohexyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;1-cyclohexyl-4-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;2,6-dimethylmorpholine
• SMILES: CC(C)c1nn(C2CCCCC2)c2nc(C(=O)O)cc(-c3ccc(Cl)nc3)c12.CC1CN(c2ccc(-c3cc(C(=O)O)nc4c3c(C(C)C)nn4C3CCCCC3)cn2)CC(C)O1.CC1CNCC(C)O1
• InChI: InChI=1S/C27H35N5O3.C21H23ClN4O2.C6H13NO/c1-16(2)25-24-21(19-10-11-23(28-13-19)31-14-17(3)35-18(4)15-31)12-22(27(33)34)29-26(24)32(30-25)20-8-6-5-7-9-20;1-12(2)19-18-15(13-8-9-17(22)23-11-13)10-16(21(27)28)24-20(18)26(25-19)14-6-4-3-5-7-14;1-5-3-7-4-6(2)8-5/h10-13,16-18,20H,5-9,14-15H2,1-4H3,(H,33,34);8-12,14H,3-7H2,1-2H3,(H,27,28);5-7H,3-4H2,1-2H3
• InChIKey: RBZBPFBCMPOAAD-UHFFFAOYSA-N
• XLogP: 11.29
• TPSA: 195.53 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 9
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	991.68
LogP ≤ 5	11.29
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-3-pyridinyl)-1-cyclohexyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;1-cyclohexyl-4-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;2,6-dimethylmorpholine?

The IUPAC name of 4-(6-chloro-3-pyridinyl)-1-cyclohexyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;1-cyclohexyl-4-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;2,6-dimethylmorpholine (CID 160582595) is 4-(6-chloro-3-pyridinyl)-1-cyclohexyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;1-cyclohexyl-4-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;2,6-dimethylmorpholine.

What is the SMILES notation for 4-(6-chloro-3-pyridinyl)-1-cyclohexyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;1-cyclohexyl-4-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;2,6-dimethylmorpholine?

The canonical SMILES for 4-(6-chloro-3-pyridinyl)-1-cyclohexyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;1-cyclohexyl-4-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;2,6-dimethylmorpholine is CC(C)c1nn(C2CCCCC2)c2nc(C(=O)O)cc(-c3ccc(Cl)nc3)c12.CC1CN(c2ccc(-c3cc(C(=O)O)nc4c3c(C(C)C)nn4C3CCCCC3)cn2)CC(C)O1.CC1CNCC(C)O1.

What is the InChIKey of 4-(6-chloro-3-pyridinyl)-1-cyclohexyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;1-cyclohexyl-4-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;2,6-dimethylmorpholine?

The InChIKey is RBZBPFBCMPOAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N5O3.C21H23ClN4O2.C6H13NO/c1-16(2)25-24-21(19-10-11-23(28-13-19)31-14-17(3)35-18(4)15-31)12-22(27(33)34)29-26(24)32(30-25)20-8-6-5-7-9-20;1-12(2)19-18-15(13-8-9-17(22)23-11-13)10-16(21(27)28)24-20(18)26(25-19)14-6-4-3-5-7-14;1-5-3-7-4-6(2)8-5/h10-13,16-18,20H,5-9,14-15H2,1-4H3,(H,33,34);8-12,14H,3-7H2,1-2H3,(H,27,28);5-7H,3-4H2,1-2H3.

What are the key properties of 4-(6-chloro-3-pyridinyl)-1-cyclohexyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;1-cyclohexyl-4-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;2,6-dimethylmorpholine?

4-(6-chloro-3-pyridinyl)-1-cyclohexyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;1-cyclohexyl-4-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;2,6-dimethylmorpholine has a molecular weight of 991.68 g/mol, XLogP of 11.29, 9 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(6-chloro-3-pyridinyl)-1-cyclohexyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;1-cyclohexyl-4-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;2,6-dimethylmorpholine is sourced from PubChem (CID 160582595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).