3-(4-chlorophenyl)-1-[1-(isocyanomethyl)piperidin-4-yl]pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-(1-methylpiperidin-4-yl)pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-piperidin-4-ylpyrazolo[4,3-c]pyridine

C54H54Cl3N13 — CID 160895564

About 3-(4-chlorophenyl)-1-[1-(isocyanomethyl)piperidin-4-yl]pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-(1-methylpiperidin-4-yl)pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-piperidin-4-ylpyrazolo[4,3-c]pyridine

3-(4-chlorophenyl)-1-[1-(isocyanomethyl)piperidin-4-yl]pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-(1-methylpiperidin-4-yl)pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-piperidin-4-ylpyrazolo[4,3-c]pyridine (PubChem CID 160895564) has the molecular formula C54H54Cl3N13 and a molecular weight of 991.48 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-[1-(isocyanomethyl)piperidin-4-yl]pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-(1-methylpiperidin-4-yl)pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-piperidin-4-ylpyrazolo[4,3-c]pyridine.

Molecular Properties

• Compound Name: 3-(4-chlorophenyl)-1-[1-(isocyanomethyl)piperidin-4-yl]pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-(1-methylpiperidin-4-yl)pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-piperidin-4-ylpyrazolo[4,3-c]pyridine
• PubChem CID: 160895564
• Molecular Formula: C54H54Cl3N13
• Molecular Weight: 991.48 g/mol
• Exact Mass: 989.37
• IUPAC Name: 3-(4-chlorophenyl)-1-[1-(isocyanomethyl)piperidin-4-yl]pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-(1-methylpiperidin-4-yl)pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-piperidin-4-ylpyrazolo[4,3-c]pyridine
• SMILES: CN1CCC(n2nc(-c3ccc(Cl)cc3)c3cnccc32)CC1.Clc1ccc(-c2nn(C3CCNCC3)c3ccncc23)cc1.[C-]#[N+]CN1CCC(n2nc(-c3ccc(Cl)cc3)c3cnccc32)CC1
• InChI: InChI=1S/C19H18ClN5.C18H19ClN4.C17H17ClN4/c1-21-13-24-10-7-16(8-11-24)25-18-6-9-22-12-17(18)19(23-25)14-2-4-15(20)5-3-14;1-22-10-7-15(8-11-22)23-17-6-9-20-12-16(17)18(21-23)13-2-4-14(19)5-3-13;18-13-3-1-12(2-4-13)17-15-11-20-10-7-16(15)22(21-17)14-5-8-19-9-6-14/h2-6,9,12,16H,7-8,10-11,13H2;2-6,9,12,15H,7-8,10-11H2,1H3;1-4,7,10-11,14,19H,5-6,8-9H2
• InChIKey: SOVCYTWWJPIIIG-UHFFFAOYSA-N
• XLogP: 11.96
• TPSA: 115.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 7
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	991.48
LogP ≤ 5	11.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-[1-(isocyanomethyl)piperidin-4-yl]pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-(1-methylpiperidin-4-yl)pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-piperidin-4-ylpyrazolo[4,3-c]pyridine?

The IUPAC name of 3-(4-chlorophenyl)-1-[1-(isocyanomethyl)piperidin-4-yl]pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-(1-methylpiperidin-4-yl)pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-piperidin-4-ylpyrazolo[4,3-c]pyridine (CID 160895564) is 3-(4-chlorophenyl)-1-[1-(isocyanomethyl)piperidin-4-yl]pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-(1-methylpiperidin-4-yl)pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-piperidin-4-ylpyrazolo[4,3-c]pyridine.

What is the SMILES notation for 3-(4-chlorophenyl)-1-[1-(isocyanomethyl)piperidin-4-yl]pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-(1-methylpiperidin-4-yl)pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-piperidin-4-ylpyrazolo[4,3-c]pyridine?

The canonical SMILES for 3-(4-chlorophenyl)-1-[1-(isocyanomethyl)piperidin-4-yl]pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-(1-methylpiperidin-4-yl)pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-piperidin-4-ylpyrazolo[4,3-c]pyridine is CN1CCC(n2nc(-c3ccc(Cl)cc3)c3cnccc32)CC1.Clc1ccc(-c2nn(C3CCNCC3)c3ccncc23)cc1.[C-]#[N+]CN1CCC(n2nc(-c3ccc(Cl)cc3)c3cnccc32)CC1.

What is the InChIKey of 3-(4-chlorophenyl)-1-[1-(isocyanomethyl)piperidin-4-yl]pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-(1-methylpiperidin-4-yl)pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-piperidin-4-ylpyrazolo[4,3-c]pyridine?

The InChIKey is SOVCYTWWJPIIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5.C18H19ClN4.C17H17ClN4/c1-21-13-24-10-7-16(8-11-24)25-18-6-9-22-12-17(18)19(23-25)14-2-4-15(20)5-3-14;1-22-10-7-15(8-11-22)23-17-6-9-20-12-16(17)18(21-23)13-2-4-14(19)5-3-13;18-13-3-1-12(2-4-13)17-15-11-20-10-7-16(15)22(21-17)14-5-8-19-9-6-14/h2-6,9,12,16H,7-8,10-11,13H2;2-6,9,12,15H,7-8,10-11H2,1H3;1-4,7,10-11,14,19H,5-6,8-9H2.

What are the key properties of 3-(4-chlorophenyl)-1-[1-(isocyanomethyl)piperidin-4-yl]pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-(1-methylpiperidin-4-yl)pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-piperidin-4-ylpyrazolo[4,3-c]pyridine?

3-(4-chlorophenyl)-1-[1-(isocyanomethyl)piperidin-4-yl]pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-(1-methylpiperidin-4-yl)pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-piperidin-4-ylpyrazolo[4,3-c]pyridine has a molecular weight of 991.48 g/mol, XLogP of 11.96, 7 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-chlorophenyl)-1-[1-(isocyanomethyl)piperidin-4-yl]pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-(1-methylpiperidin-4-yl)pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-piperidin-4-ylpyrazolo[4,3-c]pyridine is sourced from PubChem (CID 160895564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).