1-(4-chloro-3-cyclobutyl-1-cyclohexylpyrazolo[5,4-b]pyridin-6-yl)-2-hydroxyethanone;3-cyclobutyl-1-cyclohexyl-4-[4-(2-morpholin-4-ylethyl)phenyl]pyrazolo[5,4-b]pyridine-6-carboxylic acid;1-[3-cyclobutyl-1-cyclohexyl-4-[4-(2-morpholin-4-ylethyl)phenyl]pyrazolo[5,4-b]pyridin-6-yl]-2-hydroxyethanone;[4-(2-morpholin-4-ylethyl)phenyl]boronic acid

C89H114BClN12O11 — CID 159910406

About 1-(4-chloro-3-cyclobutyl-1-cyclohexylpyrazolo[5,4-b]pyridin-6-yl)-2-hydroxyethanone;3-cyclobutyl-1-cyclohexyl-4-[4-(2-morpholin-4-ylethyl)phenyl]pyrazolo[5,4-b]pyridine-6-carboxylic acid;1-[3-cyclobutyl-1-cyclohexyl-4-[4-(2-morpholin-4-ylethyl)phenyl]pyrazolo[5,4-b]pyridin-6-yl]-2-hydroxyethanone;[4-(2-morpholin-4-ylethyl)phenyl]boronic acid

1-(4-chloro-3-cyclobutyl-1-cyclohexylpyrazolo[5,4-b]pyridin-6-yl)-2-hydroxyethanone;3-cyclobutyl-1-cyclohexyl-4-[4-(2-morpholin-4-ylethyl)phenyl]pyrazolo[5,4-b]pyridine-6-carboxylic acid;1-[3-cyclobutyl-1-cyclohexyl-4-[4-(2-morpholin-4-ylethyl)phenyl]pyrazolo[5,4-b]pyridin-6-yl]-2-hydroxyethanone;[4-(2-morpholin-4-ylethyl)phenyl]boronic acid (PubChem CID 159910406) has the molecular formula C89H114BClN12O11 and a molecular weight of 1574.23 g/mol. Its IUPAC name is 1-(4-chloro-3-cyclobutyl-1-cyclohexylpyrazolo[5,4-b]pyridin-6-yl)-2-hydroxyethanone;3-cyclobutyl-1-cyclohexyl-4-[4-(2-morpholin-4-ylethyl)phenyl]pyrazolo[5,4-b]pyridine-6-carboxylic acid;1-[3-cyclobutyl-1-cyclohexyl-4-[4-(2-morpholin-4-ylethyl)phenyl]pyrazolo[5,4-b]pyridin-6-yl]-2-hydroxyethanone;[4-(2-morpholin-4-ylethyl)phenyl]boronic acid.

Molecular Properties

• Compound Name: 1-(4-chloro-3-cyclobutyl-1-cyclohexylpyrazolo[5,4-b]pyridin-6-yl)-2-hydroxyethanone;3-cyclobutyl-1-cyclohexyl-4-[4-(2-morpholin-4-ylethyl)phenyl]pyrazolo[5,4-b]pyridine-6-carboxylic acid;1-[3-cyclobutyl-1-cyclohexyl-4-[4-(2-morpholin-4-ylethyl)phenyl]pyrazolo[5,4-b]pyridin-6-yl]-2-hydroxyethanone;[4-(2-morpholin-4-ylethyl)phenyl]boronic acid
• PubChem CID: 159910406
• Molecular Formula: C89H114BClN12O11
• Molecular Weight: 1574.23 g/mol
• Exact Mass: 1572.85
• IUPAC Name: 1-(4-chloro-3-cyclobutyl-1-cyclohexylpyrazolo[5,4-b]pyridin-6-yl)-2-hydroxyethanone;3-cyclobutyl-1-cyclohexyl-4-[4-(2-morpholin-4-ylethyl)phenyl]pyrazolo[5,4-b]pyridine-6-carboxylic acid;1-[3-cyclobutyl-1-cyclohexyl-4-[4-(2-morpholin-4-ylethyl)phenyl]pyrazolo[5,4-b]pyridin-6-yl]-2-hydroxyethanone;[4-(2-morpholin-4-ylethyl)phenyl]boronic acid
• SMILES: O=C(CO)c1cc(-c2ccc(CCN3CCOCC3)cc2)c2c(C3CCC3)nn(C3CCCCC3)c2n1.O=C(CO)c1cc(Cl)c2c(C3CCC3)nn(C3CCCCC3)c2n1.O=C(O)c1cc(-c2ccc(CCN3CCOCC3)cc2)c2c(C3CCC3)nn(C3CCCCC3)c2n1.OB(O)c1ccc(CCN2CCOCC2)cc1
• InChI: InChI=1S/C30H38N4O3.C29H36N4O3.C18H22ClN3O2.C12H18BNO3/c35-20-27(36)26-19-25(22-11-9-21(10-12-22)13-14-33-15-17-37-18-16-33)28-29(23-5-4-6-23)32-34(30(28)31-26)24-7-2-1-3-8-24;34-29(35)25-19-24(21-11-9-20(10-12-21)13-14-32-15-17-36-18-16-32)26-27(22-5-4-6-22)31-33(28(26)30-25)23-7-2-1-3-8-23;19-13-9-14(15(24)10-23)20-18-16(13)17(11-5-4-6-11)21-22(18)12-7-2-1-3-8-12;15-13(16)12-3-1-11(2-4-12)5-6-14-7-9-17-10-8-14/h9-12,19,23-24,35H,1-8,13-18,20H2;9-12,19,22-23H,1-8,13-18H2,(H,34,35);9,11-12,23H,1-8,10H2;1-4,15-16H,5-10H2
• InChIKey: NXCOOFLGFKFVEJ-UHFFFAOYSA-N
• XLogP: 13.64
• TPSA: 281.90 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 22
• Rotatable Bonds: 23
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1574.23
LogP ≤ 5	13.64
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-cyclobutyl-1-cyclohexylpyrazolo[5,4-b]pyridin-6-yl)-2-hydroxyethanone;3-cyclobutyl-1-cyclohexyl-4-[4-(2-morpholin-4-ylethyl)phenyl]pyrazolo[5,4-b]pyridine-6-carboxylic acid;1-[3-cyclobutyl-1-cyclohexyl-4-[4-(2-morpholin-4-ylethyl)phenyl]pyrazolo[5,4-b]pyridin-6-yl]-2-hydroxyethanone;[4-(2-morpholin-4-ylethyl)phenyl]boronic acid?

The IUPAC name of 1-(4-chloro-3-cyclobutyl-1-cyclohexylpyrazolo[5,4-b]pyridin-6-yl)-2-hydroxyethanone;3-cyclobutyl-1-cyclohexyl-4-[4-(2-morpholin-4-ylethyl)phenyl]pyrazolo[5,4-b]pyridine-6-carboxylic acid;1-[3-cyclobutyl-1-cyclohexyl-4-[4-(2-morpholin-4-ylethyl)phenyl]pyrazolo[5,4-b]pyridin-6-yl]-2-hydroxyethanone;[4-(2-morpholin-4-ylethyl)phenyl]boronic acid (CID 159910406) is 1-(4-chloro-3-cyclobutyl-1-cyclohexylpyrazolo[5,4-b]pyridin-6-yl)-2-hydroxyethanone;3-cyclobutyl-1-cyclohexyl-4-[4-(2-morpholin-4-ylethyl)phenyl]pyrazolo[5,4-b]pyridine-6-carboxylic acid;1-[3-cyclobutyl-1-cyclohexyl-4-[4-(2-morpholin-4-ylethyl)phenyl]pyrazolo[5,4-b]pyridin-6-yl]-2-hydroxyethanone;[4-(2-morpholin-4-ylethyl)phenyl]boronic acid.

What is the SMILES notation for 1-(4-chloro-3-cyclobutyl-1-cyclohexylpyrazolo[5,4-b]pyridin-6-yl)-2-hydroxyethanone;3-cyclobutyl-1-cyclohexyl-4-[4-(2-morpholin-4-ylethyl)phenyl]pyrazolo[5,4-b]pyridine-6-carboxylic acid;1-[3-cyclobutyl-1-cyclohexyl-4-[4-(2-morpholin-4-ylethyl)phenyl]pyrazolo[5,4-b]pyridin-6-yl]-2-hydroxyethanone;[4-(2-morpholin-4-ylethyl)phenyl]boronic acid?

The canonical SMILES for 1-(4-chloro-3-cyclobutyl-1-cyclohexylpyrazolo[5,4-b]pyridin-6-yl)-2-hydroxyethanone;3-cyclobutyl-1-cyclohexyl-4-[4-(2-morpholin-4-ylethyl)phenyl]pyrazolo[5,4-b]pyridine-6-carboxylic acid;1-[3-cyclobutyl-1-cyclohexyl-4-[4-(2-morpholin-4-ylethyl)phenyl]pyrazolo[5,4-b]pyridin-6-yl]-2-hydroxyethanone;[4-(2-morpholin-4-ylethyl)phenyl]boronic acid is O=C(CO)c1cc(-c2ccc(CCN3CCOCC3)cc2)c2c(C3CCC3)nn(C3CCCCC3)c2n1.O=C(CO)c1cc(Cl)c2c(C3CCC3)nn(C3CCCCC3)c2n1.O=C(O)c1cc(-c2ccc(CCN3CCOCC3)cc2)c2c(C3CCC3)nn(C3CCCCC3)c2n1.OB(O)c1ccc(CCN2CCOCC2)cc1.

What is the InChIKey of 1-(4-chloro-3-cyclobutyl-1-cyclohexylpyrazolo[5,4-b]pyridin-6-yl)-2-hydroxyethanone;3-cyclobutyl-1-cyclohexyl-4-[4-(2-morpholin-4-ylethyl)phenyl]pyrazolo[5,4-b]pyridine-6-carboxylic acid;1-[3-cyclobutyl-1-cyclohexyl-4-[4-(2-morpholin-4-ylethyl)phenyl]pyrazolo[5,4-b]pyridin-6-yl]-2-hydroxyethanone;[4-(2-morpholin-4-ylethyl)phenyl]boronic acid?

The InChIKey is NXCOOFLGFKFVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N4O3.C29H36N4O3.C18H22ClN3O2.C12H18BNO3/c35-20-27(36)26-19-25(22-11-9-21(10-12-22)13-14-33-15-17-37-18-16-33)28-29(23-5-4-6-23)32-34(30(28)31-26)24-7-2-1-3-8-24;34-29(35)25-19-24(21-11-9-20(10-12-21)13-14-32-15-17-36-18-16-32)26-27(22-5-4-6-22)31-33(28(26)30-25)23-7-2-1-3-8-23;19-13-9-14(15(24)10-23)20-18-16(13)17(11-5-4-6-11)21-22(18)12-7-2-1-3-8-12;15-13(16)12-3-1-11(2-4-12)5-6-14-7-9-17-10-8-14/h9-12,19,23-24,35H,1-8,13-18,20H2;9-12,19,22-23H,1-8,13-18H2,(H,34,35);9,11-12,23H,1-8,10H2;1-4,15-16H,5-10H2.

What are the key properties of 1-(4-chloro-3-cyclobutyl-1-cyclohexylpyrazolo[5,4-b]pyridin-6-yl)-2-hydroxyethanone;3-cyclobutyl-1-cyclohexyl-4-[4-(2-morpholin-4-ylethyl)phenyl]pyrazolo[5,4-b]pyridine-6-carboxylic acid;1-[3-cyclobutyl-1-cyclohexyl-4-[4-(2-morpholin-4-ylethyl)phenyl]pyrazolo[5,4-b]pyridin-6-yl]-2-hydroxyethanone;[4-(2-morpholin-4-ylethyl)phenyl]boronic acid?

1-(4-chloro-3-cyclobutyl-1-cyclohexylpyrazolo[5,4-b]pyridin-6-yl)-2-hydroxyethanone;3-cyclobutyl-1-cyclohexyl-4-[4-(2-morpholin-4-ylethyl)phenyl]pyrazolo[5,4-b]pyridine-6-carboxylic acid;1-[3-cyclobutyl-1-cyclohexyl-4-[4-(2-morpholin-4-ylethyl)phenyl]pyrazolo[5,4-b]pyridin-6-yl]-2-hydroxyethanone;[4-(2-morpholin-4-ylethyl)phenyl]boronic acid has a molecular weight of 1574.23 g/mol, XLogP of 13.64, 23 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-chloro-3-cyclobutyl-1-cyclohexylpyrazolo[5,4-b]pyridin-6-yl)-2-hydroxyethanone;3-cyclobutyl-1-cyclohexyl-4-[4-(2-morpholin-4-ylethyl)phenyl]pyrazolo[5,4-b]pyridine-6-carboxylic acid;1-[3-cyclobutyl-1-cyclohexyl-4-[4-(2-morpholin-4-ylethyl)phenyl]pyrazolo[5,4-b]pyridin-6-yl]-2-hydroxyethanone;[4-(2-morpholin-4-ylethyl)phenyl]boronic acid is sourced from PubChem (CID 159910406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).