3-(4-chlorophenyl)-1-[1-(2-methoxyethyl)piperidin-4-yl]pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-(1-methylsulfonylpiperidin-4-yl)pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-(oxan-4-ylmethyl)pyrazolo[4,3-c]pyridine

C56H60Cl3N11O4S — CID 159957436

About 3-(4-chlorophenyl)-1-[1-(2-methoxyethyl)piperidin-4-yl]pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-(1-methylsulfonylpiperidin-4-yl)pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-(oxan-4-ylmethyl)pyrazolo[4,3-c]pyridine

3-(4-chlorophenyl)-1-[1-(2-methoxyethyl)piperidin-4-yl]pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-(1-methylsulfonylpiperidin-4-yl)pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-(oxan-4-ylmethyl)pyrazolo[4,3-c]pyridine (PubChem CID 159957436) has the molecular formula C56H60Cl3N11O4S and a molecular weight of 1089.59 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-[1-(2-methoxyethyl)piperidin-4-yl]pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-(1-methylsulfonylpiperidin-4-yl)pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-(oxan-4-ylmethyl)pyrazolo[4,3-c]pyridine.

Molecular Properties

• Compound Name: 3-(4-chlorophenyl)-1-[1-(2-methoxyethyl)piperidin-4-yl]pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-(1-methylsulfonylpiperidin-4-yl)pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-(oxan-4-ylmethyl)pyrazolo[4,3-c]pyridine
• PubChem CID: 159957436
• Molecular Formula: C56H60Cl3N11O4S
• Molecular Weight: 1089.59 g/mol
• Exact Mass: 1087.36
• IUPAC Name: 3-(4-chlorophenyl)-1-[1-(2-methoxyethyl)piperidin-4-yl]pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-(1-methylsulfonylpiperidin-4-yl)pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-(oxan-4-ylmethyl)pyrazolo[4,3-c]pyridine
• SMILES: COCCN1CCC(n2nc(-c3ccc(Cl)cc3)c3cnccc32)CC1.CS(=O)(=O)N1CCC(n2nc(-c3ccc(Cl)cc3)c3cnccc32)CC1.Clc1ccc(-c2nn(CC3CCOCC3)c3ccncc23)cc1
• InChI: InChI=1S/C20H23ClN4O.C18H19ClN4O2S.C18H18ClN3O/c1-26-13-12-24-10-7-17(8-11-24)25-19-6-9-22-14-18(19)20(23-25)15-2-4-16(21)5-3-15;1-26(24,25)22-10-7-15(8-11-22)23-17-6-9-20-12-16(17)18(21-23)13-2-4-14(19)5-3-13;19-15-3-1-14(2-4-15)18-16-11-20-8-5-17(16)22(21-18)12-13-6-9-23-10-7-13/h2-6,9,14,17H,7-8,10-13H2,1H3;2-6,9,12,15H,7-8,10-11H2,1H3;1-5,8,11,13H,6-7,9-10,12H2
• InChIKey: OCWWXOSFBSARFY-UHFFFAOYSA-N
• XLogP: 11.56
• TPSA: 151.21 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 11
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1089.59
LogP ≤ 5	11.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-[1-(2-methoxyethyl)piperidin-4-yl]pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-(1-methylsulfonylpiperidin-4-yl)pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-(oxan-4-ylmethyl)pyrazolo[4,3-c]pyridine?

The IUPAC name of 3-(4-chlorophenyl)-1-[1-(2-methoxyethyl)piperidin-4-yl]pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-(1-methylsulfonylpiperidin-4-yl)pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-(oxan-4-ylmethyl)pyrazolo[4,3-c]pyridine (CID 159957436) is 3-(4-chlorophenyl)-1-[1-(2-methoxyethyl)piperidin-4-yl]pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-(1-methylsulfonylpiperidin-4-yl)pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-(oxan-4-ylmethyl)pyrazolo[4,3-c]pyridine.

What is the SMILES notation for 3-(4-chlorophenyl)-1-[1-(2-methoxyethyl)piperidin-4-yl]pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-(1-methylsulfonylpiperidin-4-yl)pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-(oxan-4-ylmethyl)pyrazolo[4,3-c]pyridine?

The canonical SMILES for 3-(4-chlorophenyl)-1-[1-(2-methoxyethyl)piperidin-4-yl]pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-(1-methylsulfonylpiperidin-4-yl)pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-(oxan-4-ylmethyl)pyrazolo[4,3-c]pyridine is COCCN1CCC(n2nc(-c3ccc(Cl)cc3)c3cnccc32)CC1.CS(=O)(=O)N1CCC(n2nc(-c3ccc(Cl)cc3)c3cnccc32)CC1.Clc1ccc(-c2nn(CC3CCOCC3)c3ccncc23)cc1.

What is the InChIKey of 3-(4-chlorophenyl)-1-[1-(2-methoxyethyl)piperidin-4-yl]pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-(1-methylsulfonylpiperidin-4-yl)pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-(oxan-4-ylmethyl)pyrazolo[4,3-c]pyridine?

The InChIKey is OCWWXOSFBSARFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O.C18H19ClN4O2S.C18H18ClN3O/c1-26-13-12-24-10-7-17(8-11-24)25-19-6-9-22-14-18(19)20(23-25)15-2-4-16(21)5-3-15;1-26(24,25)22-10-7-15(8-11-22)23-17-6-9-20-12-16(17)18(21-23)13-2-4-14(19)5-3-13;19-15-3-1-14(2-4-15)18-16-11-20-8-5-17(16)22(21-18)12-13-6-9-23-10-7-13/h2-6,9,14,17H,7-8,10-13H2,1H3;2-6,9,12,15H,7-8,10-11H2,1H3;1-5,8,11,13H,6-7,9-10,12H2.

What are the key properties of 3-(4-chlorophenyl)-1-[1-(2-methoxyethyl)piperidin-4-yl]pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-(1-methylsulfonylpiperidin-4-yl)pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-(oxan-4-ylmethyl)pyrazolo[4,3-c]pyridine?

3-(4-chlorophenyl)-1-[1-(2-methoxyethyl)piperidin-4-yl]pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-(1-methylsulfonylpiperidin-4-yl)pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-(oxan-4-ylmethyl)pyrazolo[4,3-c]pyridine has a molecular weight of 1089.59 g/mol, XLogP of 11.56, 11 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-chlorophenyl)-1-[1-(2-methoxyethyl)piperidin-4-yl]pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-(1-methylsulfonylpiperidin-4-yl)pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-(oxan-4-ylmethyl)pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 159957436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).