7-[(2R)-1-[(2-propan-2-ylpyrazol-3-yl)methyl]piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one

C18H24N6O — CID 124976287

About 7-[(2R)-1-[(2-propan-2-ylpyrazol-3-yl)methyl]piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one

7-[(2R)-1-[(2-propan-2-ylpyrazol-3-yl)methyl]piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one (PubChem CID 124976287) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is 7-[(2R)-1-[(2-propan-2-ylpyrazol-3-yl)methyl]piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one.

Molecular Properties

• Compound Name: 7-[(2R)-1-[(2-propan-2-ylpyrazol-3-yl)methyl]piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one
• PubChem CID: 124976287
• Molecular Formula: C18H24N6O
• Molecular Weight: 340.43 g/mol
• Exact Mass: 340.20
• IUPAC Name: 7-[(2R)-1-[(2-propan-2-ylpyrazol-3-yl)methyl]piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one
• SMILES: CC(C)n1nccc1CN1CCCC[C@@H]1c1cc(=O)n2ccnc2[nH]1
• InChI: InChI=1S/C18H24N6O/c1-13(2)24-14(6-7-20-24)12-22-9-4-3-5-16(22)15-11-17(25)23-10-8-19-18(23)21-15/h6-8,10-11,13,16H,3-5,9,12H2,1-2H3,(H,19,21)/t16-/m1/s1
• InChIKey: JXSJCGNXJZSUAO-MRXNPFEDSA-N
• XLogP: 2.53
• TPSA: 71.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	340.43
LogP ≤ 5	2.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 7-[(2R)-1-[(2-propan-2-ylpyrazol-3-yl)methyl]piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one?

The IUPAC name of 7-[(2R)-1-[(2-propan-2-ylpyrazol-3-yl)methyl]piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one (CID 124976287) is 7-[(2R)-1-[(2-propan-2-ylpyrazol-3-yl)methyl]piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one.

What is the SMILES notation for 7-[(2R)-1-[(2-propan-2-ylpyrazol-3-yl)methyl]piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one?

The canonical SMILES for 7-[(2R)-1-[(2-propan-2-ylpyrazol-3-yl)methyl]piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one is CC(C)n1nccc1CN1CCCC[C@@H]1c1cc(=O)n2ccnc2[nH]1.

What is the InChIKey of 7-[(2R)-1-[(2-propan-2-ylpyrazol-3-yl)methyl]piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one?

The InChIKey is JXSJCGNXJZSUAO-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H24N6O/c1-13(2)24-14(6-7-20-24)12-22-9-4-3-5-16(22)15-11-17(25)23-10-8-19-18(23)21-15/h6-8,10-11,13,16H,3-5,9,12H2,1-2H3,(H,19,21)/t16-/m1/s1.

What are the key properties of 7-[(2R)-1-[(2-propan-2-ylpyrazol-3-yl)methyl]piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one?

7-[(2R)-1-[(2-propan-2-ylpyrazol-3-yl)methyl]piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one has a molecular weight of 340.43 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(2R)-1-[(2-propan-2-ylpyrazol-3-yl)methyl]piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one is sourced from PubChem (CID 124976287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).