7-[(2R)-1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one

C18H22N6O2 — CID 125026892

About 7-[(2R)-1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one

7-[(2R)-1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one (PubChem CID 125026892) has the molecular formula C18H22N6O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 7-[(2R)-1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one.

Molecular Properties

• Compound Name: 7-[(2R)-1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one
• PubChem CID: 125026892
• Molecular Formula: C18H22N6O2
• Molecular Weight: 354.41 g/mol
• Exact Mass: 354.18
• IUPAC Name: 7-[(2R)-1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one
• SMILES: Cc1n[nH]c(C)c1CC(=O)N1CCCC[C@@H]1c1cc(=O)n2ccnc2[nH]1
• InChI: InChI=1S/C18H22N6O2/c1-11-13(12(2)22-21-11)9-16(25)23-7-4-3-5-15(23)14-10-17(26)24-8-6-19-18(24)20-14/h6,8,10,15H,3-5,7,9H2,1-2H3,(H,19,20)(H,21,22)/t15-/m1/s1
• InChIKey: UJWZSWKVDVAHGX-OAHLLOKOSA-N
• XLogP: 1.66
• TPSA: 99.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	354.41
LogP ≤ 5	1.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 7-[(2R)-1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one?

The IUPAC name of 7-[(2R)-1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one (CID 125026892) is 7-[(2R)-1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one.

What is the SMILES notation for 7-[(2R)-1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one?

The canonical SMILES for 7-[(2R)-1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one is Cc1n[nH]c(C)c1CC(=O)N1CCCC[C@@H]1c1cc(=O)n2ccnc2[nH]1.

What is the InChIKey of 7-[(2R)-1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one?

The InChIKey is UJWZSWKVDVAHGX-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H22N6O2/c1-11-13(12(2)22-21-11)9-16(25)23-7-4-3-5-15(23)14-10-17(26)24-8-6-19-18(24)20-14/h6,8,10,15H,3-5,7,9H2,1-2H3,(H,19,20)(H,21,22)/t15-/m1/s1.

What are the key properties of 7-[(2R)-1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one?

7-[(2R)-1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one has a molecular weight of 354.41 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(2R)-1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one is sourced from PubChem (CID 125026892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).