5-(2-hydroxyethylamino)-2-methyl-4-[2-(3-piperidin-1-ylpropylamino)pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one

C24H32N6O2 — CID 59561276

About 5-(2-hydroxyethylamino)-2-methyl-4-[2-(3-piperidin-1-ylpropylamino)pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one

5-(2-hydroxyethylamino)-2-methyl-4-[2-(3-piperidin-1-ylpropylamino)pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one (PubChem CID 59561276) has the molecular formula C24H32N6O2 and a molecular weight of 436.56 g/mol. Its IUPAC name is 5-(2-hydroxyethylamino)-2-methyl-4-[2-(3-piperidin-1-ylpropylamino)pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one.

Molecular Properties

• Compound Name: 5-(2-hydroxyethylamino)-2-methyl-4-[2-(3-piperidin-1-ylpropylamino)pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one
• PubChem CID: 59561276
• Molecular Formula: C24H32N6O2
• Molecular Weight: 436.56 g/mol
• Exact Mass: 436.26
• IUPAC Name: 5-(2-hydroxyethylamino)-2-methyl-4-[2-(3-piperidin-1-ylpropylamino)pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one
• SMILES: CC1=C/C(=N\c2c(NCCCN3CCCCC3)nn3ccccc23)C(NCCO)=CC1=O
• InChI: InChI=1S/C24H32N6O2/c1-18-16-20(19(17-22(18)32)25-10-15-31)27-23-21-8-3-6-14-30(21)28-24(23)26-9-7-13-29-11-4-2-5-12-29/h3,6,8,14,16-17,25,31H,2,4-5,7,9-13,15H2,1H3,(H,26,28)/b27-20+
• InChIKey: GAGNXQKGKVCFSR-NHFJDJAPSA-N
• XLogP: 2.69
• TPSA: 94.26 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.56
LogP ≤ 5	2.69
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyethylamino)-2-methyl-4-[2-(3-piperidin-1-ylpropylamino)pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one?

The IUPAC name of 5-(2-hydroxyethylamino)-2-methyl-4-[2-(3-piperidin-1-ylpropylamino)pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one (CID 59561276) is 5-(2-hydroxyethylamino)-2-methyl-4-[2-(3-piperidin-1-ylpropylamino)pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one.

What is the SMILES notation for 5-(2-hydroxyethylamino)-2-methyl-4-[2-(3-piperidin-1-ylpropylamino)pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one?

The canonical SMILES for 5-(2-hydroxyethylamino)-2-methyl-4-[2-(3-piperidin-1-ylpropylamino)pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one is CC1=C/C(=N\c2c(NCCCN3CCCCC3)nn3ccccc23)C(NCCO)=CC1=O.

What is the InChIKey of 5-(2-hydroxyethylamino)-2-methyl-4-[2-(3-piperidin-1-ylpropylamino)pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one?

The InChIKey is GAGNXQKGKVCFSR-NHFJDJAPSA-N. The full InChI is InChI=1S/C24H32N6O2/c1-18-16-20(19(17-22(18)32)25-10-15-31)27-23-21-8-3-6-14-30(21)28-24(23)26-9-7-13-29-11-4-2-5-12-29/h3,6,8,14,16-17,25,31H,2,4-5,7,9-13,15H2,1H3,(H,26,28)/b27-20+.

What are the key properties of 5-(2-hydroxyethylamino)-2-methyl-4-[2-(3-piperidin-1-ylpropylamino)pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one?

5-(2-hydroxyethylamino)-2-methyl-4-[2-(3-piperidin-1-ylpropylamino)pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one has a molecular weight of 436.56 g/mol, XLogP of 2.69, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2-hydroxyethylamino)-2-methyl-4-[2-(3-piperidin-1-ylpropylamino)pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one is sourced from PubChem (CID 59561276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).