1-(2-bromo-4-pyridinyl)-4-(4-methoxypiperidin-1-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;4-(4-methoxypiperidin-1-yl)-1-(2-morpholin-4-yl-4-pyridinyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;morpholine

C50H65BrN12O8 — CID 161475921

About 1-(2-bromo-4-pyridinyl)-4-(4-methoxypiperidin-1-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;4-(4-methoxypiperidin-1-yl)-1-(2-morpholin-4-yl-4-pyridinyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;morpholine

1-(2-bromo-4-pyridinyl)-4-(4-methoxypiperidin-1-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;4-(4-methoxypiperidin-1-yl)-1-(2-morpholin-4-yl-4-pyridinyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;morpholine (PubChem CID 161475921) has the molecular formula C50H65BrN12O8 and a molecular weight of 1042.05 g/mol. Its IUPAC name is 1-(2-bromo-4-pyridinyl)-4-(4-methoxypiperidin-1-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;4-(4-methoxypiperidin-1-yl)-1-(2-morpholin-4-yl-4-pyridinyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;morpholine.

Molecular Properties

• Compound Name: 1-(2-bromo-4-pyridinyl)-4-(4-methoxypiperidin-1-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;4-(4-methoxypiperidin-1-yl)-1-(2-morpholin-4-yl-4-pyridinyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;morpholine
• PubChem CID: 161475921
• Molecular Formula: C50H65BrN12O8
• Molecular Weight: 1042.05 g/mol
• Exact Mass: 1040.42
• IUPAC Name: 1-(2-bromo-4-pyridinyl)-4-(4-methoxypiperidin-1-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;4-(4-methoxypiperidin-1-yl)-1-(2-morpholin-4-yl-4-pyridinyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;morpholine
• SMILES: C1COCCN1.COC1CCN(c2cc(C(=O)O)nc3c2c(C(C)C)nn3-c2ccnc(Br)c2)CC1.COC1CCN(c2cc(C(=O)O)nc3c2c(C(C)C)nn3-c2ccnc(N3CCOCC3)c2)CC1
• InChI: InChI=1S/C25H32N6O4.C21H24BrN5O3.C4H9NO/c1-16(2)23-22-20(29-8-5-18(34-3)6-9-29)15-19(25(32)33)27-24(22)31(28-23)17-4-7-26-21(14-17)30-10-12-35-13-11-30;1-12(2)19-18-16(26-8-5-14(30-3)6-9-26)11-15(21(28)29)24-20(18)27(25-19)13-4-7-23-17(22)10-13;1-3-6-4-2-5-1/h4,7,14-16,18H,5-6,8-13H2,1-3H3,(H,32,33);4,7,10-12,14H,5-6,8-9H2,1-3H3,(H,28,29);5H,1-4H2
• InChIKey: WDSCQAFJEHLZLM-UHFFFAOYSA-N
• XLogP: 6.71
• TPSA: 220.47 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 18
• Rotatable Bonds: 11
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1042.05
LogP ≤ 5	6.71
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-pyridinyl)-4-(4-methoxypiperidin-1-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;4-(4-methoxypiperidin-1-yl)-1-(2-morpholin-4-yl-4-pyridinyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;morpholine?

The IUPAC name of 1-(2-bromo-4-pyridinyl)-4-(4-methoxypiperidin-1-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;4-(4-methoxypiperidin-1-yl)-1-(2-morpholin-4-yl-4-pyridinyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;morpholine (CID 161475921) is 1-(2-bromo-4-pyridinyl)-4-(4-methoxypiperidin-1-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;4-(4-methoxypiperidin-1-yl)-1-(2-morpholin-4-yl-4-pyridinyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;morpholine.

What is the SMILES notation for 1-(2-bromo-4-pyridinyl)-4-(4-methoxypiperidin-1-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;4-(4-methoxypiperidin-1-yl)-1-(2-morpholin-4-yl-4-pyridinyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;morpholine?

The canonical SMILES for 1-(2-bromo-4-pyridinyl)-4-(4-methoxypiperidin-1-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;4-(4-methoxypiperidin-1-yl)-1-(2-morpholin-4-yl-4-pyridinyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;morpholine is C1COCCN1.COC1CCN(c2cc(C(=O)O)nc3c2c(C(C)C)nn3-c2ccnc(Br)c2)CC1.COC1CCN(c2cc(C(=O)O)nc3c2c(C(C)C)nn3-c2ccnc(N3CCOCC3)c2)CC1.

What is the InChIKey of 1-(2-bromo-4-pyridinyl)-4-(4-methoxypiperidin-1-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;4-(4-methoxypiperidin-1-yl)-1-(2-morpholin-4-yl-4-pyridinyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;morpholine?

The InChIKey is WDSCQAFJEHLZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O4.C21H24BrN5O3.C4H9NO/c1-16(2)23-22-20(29-8-5-18(34-3)6-9-29)15-19(25(32)33)27-24(22)31(28-23)17-4-7-26-21(14-17)30-10-12-35-13-11-30;1-12(2)19-18-16(26-8-5-14(30-3)6-9-26)11-15(21(28)29)24-20(18)27(25-19)13-4-7-23-17(22)10-13;1-3-6-4-2-5-1/h4,7,14-16,18H,5-6,8-13H2,1-3H3,(H,32,33);4,7,10-12,14H,5-6,8-9H2,1-3H3,(H,28,29);5H,1-4H2.

What are the key properties of 1-(2-bromo-4-pyridinyl)-4-(4-methoxypiperidin-1-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;4-(4-methoxypiperidin-1-yl)-1-(2-morpholin-4-yl-4-pyridinyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;morpholine?

1-(2-bromo-4-pyridinyl)-4-(4-methoxypiperidin-1-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;4-(4-methoxypiperidin-1-yl)-1-(2-morpholin-4-yl-4-pyridinyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;morpholine has a molecular weight of 1042.05 g/mol, XLogP of 6.71, 11 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-bromo-4-pyridinyl)-4-(4-methoxypiperidin-1-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;4-(4-methoxypiperidin-1-yl)-1-(2-morpholin-4-yl-4-pyridinyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;morpholine is sourced from PubChem (CID 161475921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).