3-(4-chlorophenyl)-1-(oxolan-3-ylmethyl)pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-[(3S)-oxolan-3-yl]pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrazolo[4,3-c]pyridine

C₅₃H₅₃Cl₃N₁₀O₂ — CID 159859036

About 3-(4-chlorophenyl)-1-(oxolan-3-ylmethyl)pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-[(3S)-oxolan-3-yl]pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrazolo[4,3-c]pyridine

3-(4-chlorophenyl)-1-(oxolan-3-ylmethyl)pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-[(3S)-oxolan-3-yl]pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrazolo[4,3-c]pyridine (PubChem CID 159859036) has the molecular formula C₅₃H₅₃Cl₃N₁₀O₂ and a molecular weight of 968.43 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-(oxolan-3-ylmethyl)pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-[(3S)-oxolan-3-yl]pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrazolo[4,3-c]pyridine.

Molecular Properties

• Compound Name: 3-(4-chlorophenyl)-1-(oxolan-3-ylmethyl)pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-[(3S)-oxolan-3-yl]pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrazolo[4,3-c]pyridine
• PubChem CID: 159859036
• Molecular Formula: C₅₃H₅₃Cl₃N₁₀O₂
• Molecular Weight: 968.43 g/mol
• Exact Mass: 966.34
• IUPAC Name: 3-(4-chlorophenyl)-1-(oxolan-3-ylmethyl)pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-[(3S)-oxolan-3-yl]pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrazolo[4,3-c]pyridine
• SMILES: CC(C)N1CCC(n2nc(-c3ccc(Cl)cc3)c3cnccc32)CC1.Clc1ccc(-c2nn(CC3CCOC3)c3ccncc23)cc1.Clc1ccc(-c2nn([C@H]3CCOC3)c3ccncc23)cc1
• InChI: InChI=1S/C20H23ClN4.C17H16ClN3O.C16H14ClN3O/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;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;17-12-3-1-11(2-4-12)16-14-9-18-7-5-15(14)20(19-16)13-6-8-21-10-13/h3-7,10,13-14,17H,8-9,11-12H2,1-2H3;1-5,7,9,12H,6,8,10-11H2;1-5,7,9,13H,6,8,10H2/t;;13-/m..0/s1
• InChIKey: NQXAHSZBFGAMSA-LZVLKHNHSA-N
• XLogP: 12.30
• TPSA: 113.83 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	968.43
LogP ≤ 5	12.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-(oxolan-3-ylmethyl)pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-[(3S)-oxolan-3-yl]pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrazolo[4,3-c]pyridine?

The IUPAC name of 3-(4-chlorophenyl)-1-(oxolan-3-ylmethyl)pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-[(3S)-oxolan-3-yl]pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrazolo[4,3-c]pyridine (CID 159859036) is 3-(4-chlorophenyl)-1-(oxolan-3-ylmethyl)pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-[(3S)-oxolan-3-yl]pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrazolo[4,3-c]pyridine.

What is the SMILES notation for 3-(4-chlorophenyl)-1-(oxolan-3-ylmethyl)pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-[(3S)-oxolan-3-yl]pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrazolo[4,3-c]pyridine?

The canonical SMILES for 3-(4-chlorophenyl)-1-(oxolan-3-ylmethyl)pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-[(3S)-oxolan-3-yl]pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrazolo[4,3-c]pyridine is CC(C)N1CCC(n2nc(-c3ccc(Cl)cc3)c3cnccc32)CC1.Clc1ccc(-c2nn(CC3CCOC3)c3ccncc23)cc1.Clc1ccc(-c2nn([C@H]3CCOC3)c3ccncc23)cc1.

What is the InChIKey of 3-(4-chlorophenyl)-1-(oxolan-3-ylmethyl)pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-[(3S)-oxolan-3-yl]pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrazolo[4,3-c]pyridine?

The InChIKey is NQXAHSZBFGAMSA-LZVLKHNHSA-N. The full InChI is InChI=1S/C20H23ClN4.C17H16ClN3O.C16H14ClN3O/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;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;17-12-3-1-11(2-4-12)16-14-9-18-7-5-15(14)20(19-16)13-6-8-21-10-13/h3-7,10,13-14,17H,8-9,11-12H2,1-2H3;1-5,7,9,12H,6,8,10-11H2;1-5,7,9,13H,6,8,10H2/t;;13-/m..0/s1.

What are the key properties of 3-(4-chlorophenyl)-1-(oxolan-3-ylmethyl)pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-[(3S)-oxolan-3-yl]pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrazolo[4,3-c]pyridine?

3-(4-chlorophenyl)-1-(oxolan-3-ylmethyl)pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-[(3S)-oxolan-3-yl]pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrazolo[4,3-c]pyridine has a molecular weight of 968.43 g/mol, XLogP of 12.30, 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-(oxolan-3-ylmethyl)pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-[(3S)-oxolan-3-yl]pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 159859036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159859036 — identifiers, structure, computed properties (public domain)

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