3-(4-chlorophenyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrazolo[4,3-c]pyridine;3-(4-fluorophenyl)-1-piperidin-4-ylpyrazolo[4,3-c]pyridine;4-[1-(1-methylpiperidin-4-yl)pyrazolo[4,3-c]pyridin-3-yl]benzonitrile;4-[1-(oxan-4-yl)pyrazolo[4,3-c]pyridin-3-yl]benzonitrile

C74H75ClFN17O — CID 157486476

About 3-(4-chlorophenyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrazolo[4,3-c]pyridine;3-(4-fluorophenyl)-1-piperidin-4-ylpyrazolo[4,3-c]pyridine;4-[1-(1-methylpiperidin-4-yl)pyrazolo[4,3-c]pyridin-3-yl]benzonitrile;4-[1-(oxan-4-yl)pyrazolo[4,3-c]pyridin-3-yl]benzonitrile

3-(4-chlorophenyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrazolo[4,3-c]pyridine;3-(4-fluorophenyl)-1-piperidin-4-ylpyrazolo[4,3-c]pyridine;4-[1-(1-methylpiperidin-4-yl)pyrazolo[4,3-c]pyridin-3-yl]benzonitrile;4-[1-(oxan-4-yl)pyrazolo[4,3-c]pyridin-3-yl]benzonitrile (PubChem CID 157486476) has the molecular formula C74H75ClFN17O and a molecular weight of 1272.98 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrazolo[4,3-c]pyridine;3-(4-fluorophenyl)-1-piperidin-4-ylpyrazolo[4,3-c]pyridine;4-[1-(1-methylpiperidin-4-yl)pyrazolo[4,3-c]pyridin-3-yl]benzonitrile;4-[1-(oxan-4-yl)pyrazolo[4,3-c]pyridin-3-yl]benzonitrile.

Molecular Properties

• Compound Name: 3-(4-chlorophenyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrazolo[4,3-c]pyridine;3-(4-fluorophenyl)-1-piperidin-4-ylpyrazolo[4,3-c]pyridine;4-[1-(1-methylpiperidin-4-yl)pyrazolo[4,3-c]pyridin-3-yl]benzonitrile;4-[1-(oxan-4-yl)pyrazolo[4,3-c]pyridin-3-yl]benzonitrile
• PubChem CID: 157486476
• Molecular Formula: C74H75ClFN17O
• Molecular Weight: 1272.98 g/mol
• Exact Mass: 1271.60
• IUPAC Name: 3-(4-chlorophenyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrazolo[4,3-c]pyridine;3-(4-fluorophenyl)-1-piperidin-4-ylpyrazolo[4,3-c]pyridine;4-[1-(1-methylpiperidin-4-yl)pyrazolo[4,3-c]pyridin-3-yl]benzonitrile;4-[1-(oxan-4-yl)pyrazolo[4,3-c]pyridin-3-yl]benzonitrile
• SMILES: CC(C)N1CCC(n2nc(-c3ccc(Cl)cc3)c3cnccc32)CC1.CN1CCC(n2nc(-c3ccc(C#N)cc3)c3cnccc32)CC1.Fc1ccc(-c2nn(C3CCNCC3)c3ccncc23)cc1.N#Cc1ccc(-c2nn(C3CCOCC3)c3ccncc23)cc1
• InChI: InChI=1S/C20H23ClN4.C19H19N5.C18H16N4O.C17H17FN4/c1-14(2)24-11-8-17(9-12-24)25-19-7-10-22-13-18(19)20(23-25)15-3-5-16(21)6-4-15;1-23-10-7-16(8-11-23)24-18-6-9-21-13-17(18)19(22-24)15-4-2-14(12-20)3-5-15;19-11-13-1-3-14(4-2-13)18-16-12-20-8-5-17(16)22(21-18)15-6-9-23-10-7-15;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/h3-7,10,13-14,17H,8-9,11-12H2,1-2H3;2-6,9,13,16H,7-8,10-11H2,1H3;1-5,8,12,15H,6-7,9-10H2;1-4,7,10-11,14,19H,5-6,8-9H2
• InChIKey: BWTRZEHLBUPKQK-UHFFFAOYSA-N
• XLogP: 14.52
• TPSA: 198.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 18
• Rotatable Bonds: 9
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1272.98
LogP ≤ 5	14.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrazolo[4,3-c]pyridine;3-(4-fluorophenyl)-1-piperidin-4-ylpyrazolo[4,3-c]pyridine;4-[1-(1-methylpiperidin-4-yl)pyrazolo[4,3-c]pyridin-3-yl]benzonitrile;4-[1-(oxan-4-yl)pyrazolo[4,3-c]pyridin-3-yl]benzonitrile?

The IUPAC name of 3-(4-chlorophenyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrazolo[4,3-c]pyridine;3-(4-fluorophenyl)-1-piperidin-4-ylpyrazolo[4,3-c]pyridine;4-[1-(1-methylpiperidin-4-yl)pyrazolo[4,3-c]pyridin-3-yl]benzonitrile;4-[1-(oxan-4-yl)pyrazolo[4,3-c]pyridin-3-yl]benzonitrile (CID 157486476) is 3-(4-chlorophenyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrazolo[4,3-c]pyridine;3-(4-fluorophenyl)-1-piperidin-4-ylpyrazolo[4,3-c]pyridine;4-[1-(1-methylpiperidin-4-yl)pyrazolo[4,3-c]pyridin-3-yl]benzonitrile;4-[1-(oxan-4-yl)pyrazolo[4,3-c]pyridin-3-yl]benzonitrile.

What is the SMILES notation for 3-(4-chlorophenyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrazolo[4,3-c]pyridine;3-(4-fluorophenyl)-1-piperidin-4-ylpyrazolo[4,3-c]pyridine;4-[1-(1-methylpiperidin-4-yl)pyrazolo[4,3-c]pyridin-3-yl]benzonitrile;4-[1-(oxan-4-yl)pyrazolo[4,3-c]pyridin-3-yl]benzonitrile?

The canonical SMILES for 3-(4-chlorophenyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrazolo[4,3-c]pyridine;3-(4-fluorophenyl)-1-piperidin-4-ylpyrazolo[4,3-c]pyridine;4-[1-(1-methylpiperidin-4-yl)pyrazolo[4,3-c]pyridin-3-yl]benzonitrile;4-[1-(oxan-4-yl)pyrazolo[4,3-c]pyridin-3-yl]benzonitrile is CC(C)N1CCC(n2nc(-c3ccc(Cl)cc3)c3cnccc32)CC1.CN1CCC(n2nc(-c3ccc(C#N)cc3)c3cnccc32)CC1.Fc1ccc(-c2nn(C3CCNCC3)c3ccncc23)cc1.N#Cc1ccc(-c2nn(C3CCOCC3)c3ccncc23)cc1.

What is the InChIKey of 3-(4-chlorophenyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrazolo[4,3-c]pyridine;3-(4-fluorophenyl)-1-piperidin-4-ylpyrazolo[4,3-c]pyridine;4-[1-(1-methylpiperidin-4-yl)pyrazolo[4,3-c]pyridin-3-yl]benzonitrile;4-[1-(oxan-4-yl)pyrazolo[4,3-c]pyridin-3-yl]benzonitrile?

The InChIKey is BWTRZEHLBUPKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4.C19H19N5.C18H16N4O.C17H17FN4/c1-14(2)24-11-8-17(9-12-24)25-19-7-10-22-13-18(19)20(23-25)15-3-5-16(21)6-4-15;1-23-10-7-16(8-11-23)24-18-6-9-21-13-17(18)19(22-24)15-4-2-14(12-20)3-5-15;19-11-13-1-3-14(4-2-13)18-16-12-20-8-5-17(16)22(21-18)15-6-9-23-10-7-15;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/h3-7,10,13-14,17H,8-9,11-12H2,1-2H3;2-6,9,13,16H,7-8,10-11H2,1H3;1-5,8,12,15H,6-7,9-10H2;1-4,7,10-11,14,19H,5-6,8-9H2.

What are the key properties of 3-(4-chlorophenyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrazolo[4,3-c]pyridine;3-(4-fluorophenyl)-1-piperidin-4-ylpyrazolo[4,3-c]pyridine;4-[1-(1-methylpiperidin-4-yl)pyrazolo[4,3-c]pyridin-3-yl]benzonitrile;4-[1-(oxan-4-yl)pyrazolo[4,3-c]pyridin-3-yl]benzonitrile?

3-(4-chlorophenyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrazolo[4,3-c]pyridine;3-(4-fluorophenyl)-1-piperidin-4-ylpyrazolo[4,3-c]pyridine;4-[1-(1-methylpiperidin-4-yl)pyrazolo[4,3-c]pyridin-3-yl]benzonitrile;4-[1-(oxan-4-yl)pyrazolo[4,3-c]pyridin-3-yl]benzonitrile has a molecular weight of 1272.98 g/mol, XLogP of 14.52, 9 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-chlorophenyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrazolo[4,3-c]pyridine;3-(4-fluorophenyl)-1-piperidin-4-ylpyrazolo[4,3-c]pyridine;4-[1-(1-methylpiperidin-4-yl)pyrazolo[4,3-c]pyridin-3-yl]benzonitrile;4-[1-(oxan-4-yl)pyrazolo[4,3-c]pyridin-3-yl]benzonitrile is sourced from PubChem (CID 157486476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).