6-ethyl-2-[1-(imidazole-1-carbonyl)piperidin-3-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C18H22N6O2 — CID 110215111

About 6-ethyl-2-[1-(imidazole-1-carbonyl)piperidin-3-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

6-ethyl-2-[1-(imidazole-1-carbonyl)piperidin-3-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 110215111) has the molecular formula C18H22N6O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 6-ethyl-2-[1-(imidazole-1-carbonyl)piperidin-3-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-ethyl-2-[1-(imidazole-1-carbonyl)piperidin-3-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
• PubChem CID: 110215111
• Molecular Formula: C18H22N6O2
• Molecular Weight: 354.41 g/mol
• Exact Mass: 354.18
• IUPAC Name: 6-ethyl-2-[1-(imidazole-1-carbonyl)piperidin-3-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
• SMILES: CCc1c(C)nc2cc(C3CCCN(C(=O)n4ccnc4)C3)[nH]n2c1=O
• InChI: InChI=1S/C18H22N6O2/c1-3-14-12(2)20-16-9-15(21-24(16)17(14)25)13-5-4-7-22(10-13)18(26)23-8-6-19-11-23/h6,8-9,11,13,21H,3-5,7,10H2,1-2H3
• InChIKey: YDOLGLZCRSZMKJ-UHFFFAOYSA-N
• XLogP: 1.94
• TPSA: 88.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	354.41
LogP ≤ 5	1.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-[1-(imidazole-1-carbonyl)piperidin-3-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?

The IUPAC name of 6-ethyl-2-[1-(imidazole-1-carbonyl)piperidin-3-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 110215111) is 6-ethyl-2-[1-(imidazole-1-carbonyl)piperidin-3-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

What is the SMILES notation for 6-ethyl-2-[1-(imidazole-1-carbonyl)piperidin-3-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?

The canonical SMILES for 6-ethyl-2-[1-(imidazole-1-carbonyl)piperidin-3-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is CCc1c(C)nc2cc(C3CCCN(C(=O)n4ccnc4)C3)[nH]n2c1=O.

What is the InChIKey of 6-ethyl-2-[1-(imidazole-1-carbonyl)piperidin-3-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?

The InChIKey is YDOLGLZCRSZMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2/c1-3-14-12(2)20-16-9-15(21-24(16)17(14)25)13-5-4-7-22(10-13)18(26)23-8-6-19-11-23/h6,8-9,11,13,21H,3-5,7,10H2,1-2H3.

What are the key properties of 6-ethyl-2-[1-(imidazole-1-carbonyl)piperidin-3-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?

6-ethyl-2-[1-(imidazole-1-carbonyl)piperidin-3-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 354.41 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-ethyl-2-[1-(imidazole-1-carbonyl)piperidin-3-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 110215111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).