3-(4-chlorophenyl)-1-(1-ethylpiperidin-4-yl)pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-(oxolan-3-ylmethyl)pyrazolo[4,3-c]pyridine;3-(4-fluorophenyl)-1-(1-methylpiperidin-4-yl)pyrazolo[4,3-c]pyridine

C54H56Cl2FN11O — CID 158042949

About 3-(4-chlorophenyl)-1-(1-ethylpiperidin-4-yl)pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-(oxolan-3-ylmethyl)pyrazolo[4,3-c]pyridine;3-(4-fluorophenyl)-1-(1-methylpiperidin-4-yl)pyrazolo[4,3-c]pyridine

3-(4-chlorophenyl)-1-(1-ethylpiperidin-4-yl)pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-(oxolan-3-ylmethyl)pyrazolo[4,3-c]pyridine;3-(4-fluorophenyl)-1-(1-methylpiperidin-4-yl)pyrazolo[4,3-c]pyridine (PubChem CID 158042949) has the molecular formula C54H56Cl2FN11O and a molecular weight of 965.02 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-(1-ethylpiperidin-4-yl)pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-(oxolan-3-ylmethyl)pyrazolo[4,3-c]pyridine;3-(4-fluorophenyl)-1-(1-methylpiperidin-4-yl)pyrazolo[4,3-c]pyridine.

Molecular Properties

• Compound Name: 3-(4-chlorophenyl)-1-(1-ethylpiperidin-4-yl)pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-(oxolan-3-ylmethyl)pyrazolo[4,3-c]pyridine;3-(4-fluorophenyl)-1-(1-methylpiperidin-4-yl)pyrazolo[4,3-c]pyridine
• PubChem CID: 158042949
• Molecular Formula: C54H56Cl2FN11O
• Molecular Weight: 965.02 g/mol
• Exact Mass: 963.40
• IUPAC Name: 3-(4-chlorophenyl)-1-(1-ethylpiperidin-4-yl)pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-(oxolan-3-ylmethyl)pyrazolo[4,3-c]pyridine;3-(4-fluorophenyl)-1-(1-methylpiperidin-4-yl)pyrazolo[4,3-c]pyridine
• SMILES: CCN1CCC(n2nc(-c3ccc(Cl)cc3)c3cnccc32)CC1.CN1CCC(n2nc(-c3ccc(F)cc3)c3cnccc32)CC1.Clc1ccc(-c2nn(CC3CCOC3)c3ccncc23)cc1
• InChI: InChI=1S/C19H21ClN4.C18H19FN4.C17H16ClN3O/c1-2-23-11-8-16(9-12-23)24-18-7-10-21-13-17(18)19(22-24)14-3-5-15(20)6-4-14;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;18-14-3-1-13(2-4-14)17-15-9-19-7-5-16(15)21(20-17)10-12-6-8-22-11-12/h3-7,10,13,16H,2,8-9,11-12H2,1H3;2-6,9,12,15H,7-8,10-11H2,1H3;1-5,7,9,12H,6,8,10-11H2
• InChIKey: FIONEUUYWSFVHZ-UHFFFAOYSA-N
• XLogP: 11.70
• TPSA: 107.84 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	965.02
LogP ≤ 5	11.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-(1-ethylpiperidin-4-yl)pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-(oxolan-3-ylmethyl)pyrazolo[4,3-c]pyridine;3-(4-fluorophenyl)-1-(1-methylpiperidin-4-yl)pyrazolo[4,3-c]pyridine?

The IUPAC name of 3-(4-chlorophenyl)-1-(1-ethylpiperidin-4-yl)pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-(oxolan-3-ylmethyl)pyrazolo[4,3-c]pyridine;3-(4-fluorophenyl)-1-(1-methylpiperidin-4-yl)pyrazolo[4,3-c]pyridine (CID 158042949) is 3-(4-chlorophenyl)-1-(1-ethylpiperidin-4-yl)pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-(oxolan-3-ylmethyl)pyrazolo[4,3-c]pyridine;3-(4-fluorophenyl)-1-(1-methylpiperidin-4-yl)pyrazolo[4,3-c]pyridine.

What is the SMILES notation for 3-(4-chlorophenyl)-1-(1-ethylpiperidin-4-yl)pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-(oxolan-3-ylmethyl)pyrazolo[4,3-c]pyridine;3-(4-fluorophenyl)-1-(1-methylpiperidin-4-yl)pyrazolo[4,3-c]pyridine?

The canonical SMILES for 3-(4-chlorophenyl)-1-(1-ethylpiperidin-4-yl)pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-(oxolan-3-ylmethyl)pyrazolo[4,3-c]pyridine;3-(4-fluorophenyl)-1-(1-methylpiperidin-4-yl)pyrazolo[4,3-c]pyridine is CCN1CCC(n2nc(-c3ccc(Cl)cc3)c3cnccc32)CC1.CN1CCC(n2nc(-c3ccc(F)cc3)c3cnccc32)CC1.Clc1ccc(-c2nn(CC3CCOC3)c3ccncc23)cc1.

What is the InChIKey of 3-(4-chlorophenyl)-1-(1-ethylpiperidin-4-yl)pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-(oxolan-3-ylmethyl)pyrazolo[4,3-c]pyridine;3-(4-fluorophenyl)-1-(1-methylpiperidin-4-yl)pyrazolo[4,3-c]pyridine?

The InChIKey is FIONEUUYWSFVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4.C18H19FN4.C17H16ClN3O/c1-2-23-11-8-16(9-12-23)24-18-7-10-21-13-17(18)19(22-24)14-3-5-15(20)6-4-14;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;18-14-3-1-13(2-4-14)17-15-9-19-7-5-16(15)21(20-17)10-12-6-8-22-11-12/h3-7,10,13,16H,2,8-9,11-12H2,1H3;2-6,9,12,15H,7-8,10-11H2,1H3;1-5,7,9,12H,6,8,10-11H2.

What are the key properties of 3-(4-chlorophenyl)-1-(1-ethylpiperidin-4-yl)pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-(oxolan-3-ylmethyl)pyrazolo[4,3-c]pyridine;3-(4-fluorophenyl)-1-(1-methylpiperidin-4-yl)pyrazolo[4,3-c]pyridine?

3-(4-chlorophenyl)-1-(1-ethylpiperidin-4-yl)pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-(oxolan-3-ylmethyl)pyrazolo[4,3-c]pyridine;3-(4-fluorophenyl)-1-(1-methylpiperidin-4-yl)pyrazolo[4,3-c]pyridine has a molecular weight of 965.02 g/mol, XLogP of 11.70, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-chlorophenyl)-1-(1-ethylpiperidin-4-yl)pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-(oxolan-3-ylmethyl)pyrazolo[4,3-c]pyridine;3-(4-fluorophenyl)-1-(1-methylpiperidin-4-yl)pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 158042949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).