1-[3-(4-chlorophenyl)-1-[2-hydroxy-3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

C29H35ClN4O3 — CID 22293738

About 1-[3-(4-chlorophenyl)-1-[2-hydroxy-3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

1-[3-(4-chlorophenyl)-1-[2-hydroxy-3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 22293738) has the molecular formula C29H35ClN4O3 and a molecular weight of 523.08 g/mol. Its IUPAC name is 1-[3-(4-chlorophenyl)-1-[2-hydroxy-3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

• Compound Name: 1-[3-(4-chlorophenyl)-1-[2-hydroxy-3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
• PubChem CID: 22293738
• Molecular Formula: C29H35ClN4O3
• Molecular Weight: 523.08 g/mol
• Exact Mass: 522.24
• IUPAC Name: 1-[3-(4-chlorophenyl)-1-[2-hydroxy-3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
• SMILES: COc1ccccc1C1CCN(CC(O)Cn2nc(-c3ccc(Cl)cc3)c3c2CCN(C(C)=O)C3)CC1
• InChI: InChI=1S/C29H35ClN4O3/c1-20(35)33-16-13-27-26(19-33)29(22-7-9-23(30)10-8-22)31-34(27)18-24(36)17-32-14-11-21(12-15-32)25-5-3-4-6-28(25)37-2/h3-10,21,24,36H,11-19H2,1-2H3
• InChIKey: KMRCWTMHPWPRGY-UHFFFAOYSA-N
• XLogP: 4.36
• TPSA: 70.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	523.08
LogP ≤ 5	4.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chlorophenyl)-1-[2-hydroxy-3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

The IUPAC name of 1-[3-(4-chlorophenyl)-1-[2-hydroxy-3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 22293738) is 1-[3-(4-chlorophenyl)-1-[2-hydroxy-3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

What is the SMILES notation for 1-[3-(4-chlorophenyl)-1-[2-hydroxy-3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

The canonical SMILES for 1-[3-(4-chlorophenyl)-1-[2-hydroxy-3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is COc1ccccc1C1CCN(CC(O)Cn2nc(-c3ccc(Cl)cc3)c3c2CCN(C(C)=O)C3)CC1.

What is the InChIKey of 1-[3-(4-chlorophenyl)-1-[2-hydroxy-3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

The InChIKey is KMRCWTMHPWPRGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35ClN4O3/c1-20(35)33-16-13-27-26(19-33)29(22-7-9-23(30)10-8-22)31-34(27)18-24(36)17-32-14-11-21(12-15-32)25-5-3-4-6-28(25)37-2/h3-10,21,24,36H,11-19H2,1-2H3.

What are the key properties of 1-[3-(4-chlorophenyl)-1-[2-hydroxy-3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

1-[3-(4-chlorophenyl)-1-[2-hydroxy-3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 523.08 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(4-chlorophenyl)-1-[2-hydroxy-3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 22293738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).