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;1-[4-[3-(4-chlorophenyl)pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]ethanone

C55H56Cl3N11O4S — CID 158716834

About 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;1-[4-[3-(4-chlorophenyl)pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]ethanone

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;1-[4-[3-(4-chlorophenyl)pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]ethanone (PubChem CID 158716834) has the molecular formula C55H56Cl3N11O4S and a molecular weight of 1073.55 g/mol. Its IUPAC name is 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;1-[4-[3-(4-chlorophenyl)pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 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;1-[4-[3-(4-chlorophenyl)pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]ethanone
• PubChem CID: 158716834
• Molecular Formula: C55H56Cl3N11O4S
• Molecular Weight: 1073.55 g/mol
• Exact Mass: 1071.33
• IUPAC Name: 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;1-[4-[3-(4-chlorophenyl)pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]ethanone
• SMILES: CC(=O)N1CCC(n2nc(-c3ccc(Cl)cc3)c3cnccc32)CC1.CS(=O)(=O)N1CCC(n2nc(-c3ccc(Cl)cc3)c3cnccc32)CC1.Clc1ccc(-c2nn(CC3CCOCC3)c3ccncc23)cc1
• InChI: InChI=1S/C19H19ClN4O.C18H19ClN4O2S.C18H18ClN3O/c1-13(25)23-10-7-16(8-11-23)24-18-6-9-21-12-17(18)19(22-24)14-2-4-15(20)5-3-14;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/h2-6,9,12,16H,7-8,10-11H2,1H3;2-6,9,12,15H,7-8,10-11H2,1H3;1-5,8,11,13H,6-7,9-10,12H2
• InChIKey: IJKMSGZNZZZGFL-UHFFFAOYSA-N
• XLogP: 11.46
• TPSA: 159.05 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 8
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1073.55
LogP ≤ 5	11.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 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;1-[4-[3-(4-chlorophenyl)pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]ethanone?

The IUPAC name of 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;1-[4-[3-(4-chlorophenyl)pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]ethanone (CID 158716834) is 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;1-[4-[3-(4-chlorophenyl)pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]ethanone.

What is the SMILES notation for 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;1-[4-[3-(4-chlorophenyl)pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]ethanone?

The canonical SMILES for 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;1-[4-[3-(4-chlorophenyl)pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC(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-methylsulfonylpiperidin-4-yl)pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-(oxan-4-ylmethyl)pyrazolo[4,3-c]pyridine;1-[4-[3-(4-chlorophenyl)pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]ethanone?

The InChIKey is IJKMSGZNZZZGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O.C18H19ClN4O2S.C18H18ClN3O/c1-13(25)23-10-7-16(8-11-23)24-18-6-9-21-12-17(18)19(22-24)14-2-4-15(20)5-3-14;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/h2-6,9,12,16H,7-8,10-11H2,1H3;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-methylsulfonylpiperidin-4-yl)pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-(oxan-4-ylmethyl)pyrazolo[4,3-c]pyridine;1-[4-[3-(4-chlorophenyl)pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]ethanone?

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;1-[4-[3-(4-chlorophenyl)pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]ethanone has a molecular weight of 1073.55 g/mol, XLogP of 11.46, 8 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 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;1-[4-[3-(4-chlorophenyl)pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 158716834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).