2-methyl-6-[(2S)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidine-1-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

C19H24N6O2 — CID 98277148

About 2-methyl-6-[(2S)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidine-1-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

2-methyl-6-[(2S)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidine-1-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 98277148) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 2-methyl-6-[(2S)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidine-1-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

• Compound Name: 2-methyl-6-[(2S)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidine-1-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
• PubChem CID: 98277148
• Molecular Formula: C19H24N6O2
• Molecular Weight: 368.44 g/mol
• Exact Mass: 368.20
• IUPAC Name: 2-methyl-6-[(2S)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidine-1-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
• SMILES: Cc1cc2ncc(C(=O)N3CCCC[C@H]3CCn3ccnc3C)c(=O)n2[nH]1
• InChI: InChI=1S/C19H24N6O2/c1-13-11-17-21-12-16(19(27)25(17)22-13)18(26)24-8-4-3-5-15(24)6-9-23-10-7-20-14(23)2/h7,10-12,15,22H,3-6,8-9H2,1-2H3/t15-/m0/s1
• InChIKey: XCWAEMNYIIQPOM-HNNXBMFYSA-N
• XLogP: 1.92
• TPSA: 88.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.44
LogP ≤ 5	1.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-methyl-6-[(2S)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidine-1-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 98277148) is 2-methyl-6-[(2S)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidine-1-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.

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

The canonical SMILES for 2-methyl-6-[(2S)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidine-1-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1cc2ncc(C(=O)N3CCCC[C@H]3CCn3ccnc3C)c(=O)n2[nH]1.

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

The InChIKey is XCWAEMNYIIQPOM-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H24N6O2/c1-13-11-17-21-12-16(19(27)25(17)22-13)18(26)24-8-4-3-5-15(24)6-9-23-10-7-20-14(23)2/h7,10-12,15,22H,3-6,8-9H2,1-2H3/t15-/m0/s1.

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

2-methyl-6-[(2S)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidine-1-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 368.44 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-6-[(2S)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidine-1-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 98277148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).