7-[(2S)-1-[2-(azepan-1-yl)acetyl]piperidin-2-yl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H30N6O2 — CID 124984962

About 7-[(2S)-1-[2-(azepan-1-yl)acetyl]piperidin-2-yl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

7-[(2S)-1-[2-(azepan-1-yl)acetyl]piperidin-2-yl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 124984962) has the molecular formula C21H30N6O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is 7-[(2S)-1-[2-(azepan-1-yl)acetyl]piperidin-2-yl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 7-[(2S)-1-[2-(azepan-1-yl)acetyl]piperidin-2-yl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 124984962
• Molecular Formula: C21H30N6O2
• Molecular Weight: 398.51 g/mol
• Exact Mass: 398.24
• IUPAC Name: 7-[(2S)-1-[2-(azepan-1-yl)acetyl]piperidin-2-yl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CNC(=O)c1cnn2c([C@@H]3CCCCN3C(=O)CN3CCCCCC3)ccnc12
• InChI: InChI=1S/C21H30N6O2/c1-22-21(29)16-14-24-27-18(9-10-23-20(16)27)17-8-4-7-13-26(17)19(28)15-25-11-5-2-3-6-12-25/h9-10,14,17H,2-8,11-13,15H2,1H3,(H,22,29)/t17-/m0/s1
• InChIKey: NOLFZYXRHODUEN-KRWDZBQOSA-N
• XLogP: 2.02
• TPSA: 82.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	398.51
LogP ≤ 5	2.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 7-[(2S)-1-[2-(azepan-1-yl)acetyl]piperidin-2-yl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of 7-[(2S)-1-[2-(azepan-1-yl)acetyl]piperidin-2-yl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 124984962) is 7-[(2S)-1-[2-(azepan-1-yl)acetyl]piperidin-2-yl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 7-[(2S)-1-[2-(azepan-1-yl)acetyl]piperidin-2-yl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for 7-[(2S)-1-[2-(azepan-1-yl)acetyl]piperidin-2-yl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is CNC(=O)c1cnn2c([C@@H]3CCCCN3C(=O)CN3CCCCCC3)ccnc12.

What is the InChIKey of 7-[(2S)-1-[2-(azepan-1-yl)acetyl]piperidin-2-yl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is NOLFZYXRHODUEN-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H30N6O2/c1-22-21(29)16-14-24-27-18(9-10-23-20(16)27)17-8-4-7-13-26(17)19(28)15-25-11-5-2-3-6-12-25/h9-10,14,17H,2-8,11-13,15H2,1H3,(H,22,29)/t17-/m0/s1.

What are the key properties of 7-[(2S)-1-[2-(azepan-1-yl)acetyl]piperidin-2-yl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

7-[(2S)-1-[2-(azepan-1-yl)acetyl]piperidin-2-yl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 398.51 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(2S)-1-[2-(azepan-1-yl)acetyl]piperidin-2-yl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 124984962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).