5-methyl-2-phenyl-3-piperidin-1-yl-6-quinoxalin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C26H24N6O — CID 134307506

About 5-methyl-2-phenyl-3-piperidin-1-yl-6-quinoxalin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-methyl-2-phenyl-3-piperidin-1-yl-6-quinoxalin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 134307506) has the molecular formula C26H24N6O and a molecular weight of 436.52 g/mol. Its IUPAC name is 5-methyl-2-phenyl-3-piperidin-1-yl-6-quinoxalin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

• Compound Name: 5-methyl-2-phenyl-3-piperidin-1-yl-6-quinoxalin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
• PubChem CID: 134307506
• Molecular Formula: C26H24N6O
• Molecular Weight: 436.52 g/mol
• Exact Mass: 436.20
• IUPAC Name: 5-methyl-2-phenyl-3-piperidin-1-yl-6-quinoxalin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
• SMILES: Cc1nc2c(N3CCCCC3)c(-c3ccccc3)[nH]n2c(=O)c1-c1ccc2nccnc2c1
• InChI: InChI=1S/C26H24N6O/c1-17-22(19-10-11-20-21(16-19)28-13-12-27-20)26(33)32-25(29-17)24(31-14-6-3-7-15-31)23(30-32)18-8-4-2-5-9-18/h2,4-5,8-13,16,30H,3,6-7,14-15H2,1H3
• InChIKey: HZEIPDGIMCQLMP-UHFFFAOYSA-N
• XLogP: 4.60
• TPSA: 79.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.52
LogP ≤ 5	4.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-phenyl-3-piperidin-1-yl-6-quinoxalin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?

The IUPAC name of 5-methyl-2-phenyl-3-piperidin-1-yl-6-quinoxalin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 134307506) is 5-methyl-2-phenyl-3-piperidin-1-yl-6-quinoxalin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

What is the SMILES notation for 5-methyl-2-phenyl-3-piperidin-1-yl-6-quinoxalin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?

The canonical SMILES for 5-methyl-2-phenyl-3-piperidin-1-yl-6-quinoxalin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1nc2c(N3CCCCC3)c(-c3ccccc3)[nH]n2c(=O)c1-c1ccc2nccnc2c1.

What is the InChIKey of 5-methyl-2-phenyl-3-piperidin-1-yl-6-quinoxalin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?

The InChIKey is HZEIPDGIMCQLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O/c1-17-22(19-10-11-20-21(16-19)28-13-12-27-20)26(33)32-25(29-17)24(31-14-6-3-7-15-31)23(30-32)18-8-4-2-5-9-18/h2,4-5,8-13,16,30H,3,6-7,14-15H2,1H3.

What are the key properties of 5-methyl-2-phenyl-3-piperidin-1-yl-6-quinoxalin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?

5-methyl-2-phenyl-3-piperidin-1-yl-6-quinoxalin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 436.52 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-2-phenyl-3-piperidin-1-yl-6-quinoxalin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 134307506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).