1,3-dimethyl-4-[2-(3-piperidin-1-ylpropoxy)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

C22H30N4O2 — CID 171909605

About 1,3-dimethyl-4-[2-(3-piperidin-1-ylpropoxy)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

1,3-dimethyl-4-[2-(3-piperidin-1-ylpropoxy)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 171909605) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 1,3-dimethyl-4-[2-(3-piperidin-1-ylpropoxy)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

• Compound Name: 1,3-dimethyl-4-[2-(3-piperidin-1-ylpropoxy)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
• PubChem CID: 171909605
• Molecular Formula: C22H30N4O2
• Molecular Weight: 382.51 g/mol
• Exact Mass: 382.24
• IUPAC Name: 1,3-dimethyl-4-[2-(3-piperidin-1-ylpropoxy)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
• SMILES: Cc1nn(C)c2c1C(c1ccccc1OCCCN1CCCCC1)CC(=O)N2
• InChI: InChI=1S/C22H30N4O2/c1-16-21-18(15-20(27)23-22(21)25(2)24-16)17-9-4-5-10-19(17)28-14-8-13-26-11-6-3-7-12-26/h4-5,9-10,18H,3,6-8,11-15H2,1-2H3,(H,23,27)
• InChIKey: CEGWOCKUJUWCFB-UHFFFAOYSA-N
• XLogP: 3.46
• TPSA: 59.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.51
LogP ≤ 5	3.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-[2-(3-piperidin-1-ylpropoxy)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?

The IUPAC name of 1,3-dimethyl-4-[2-(3-piperidin-1-ylpropoxy)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 171909605) is 1,3-dimethyl-4-[2-(3-piperidin-1-ylpropoxy)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

What is the SMILES notation for 1,3-dimethyl-4-[2-(3-piperidin-1-ylpropoxy)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?

The canonical SMILES for 1,3-dimethyl-4-[2-(3-piperidin-1-ylpropoxy)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is Cc1nn(C)c2c1C(c1ccccc1OCCCN1CCCCC1)CC(=O)N2.

What is the InChIKey of 1,3-dimethyl-4-[2-(3-piperidin-1-ylpropoxy)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?

The InChIKey is CEGWOCKUJUWCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-16-21-18(15-20(27)23-22(21)25(2)24-16)17-9-4-5-10-19(17)28-14-8-13-26-11-6-3-7-12-26/h4-5,9-10,18H,3,6-8,11-15H2,1-2H3,(H,23,27).

What are the key properties of 1,3-dimethyl-4-[2-(3-piperidin-1-ylpropoxy)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?

1,3-dimethyl-4-[2-(3-piperidin-1-ylpropoxy)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 382.51 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-dimethyl-4-[2-(3-piperidin-1-ylpropoxy)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 171909605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).