N-methyl-7-[(2S)-1-(2-piperidin-1-ylacetyl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C20H28N6O2 — CID 124985846

About N-methyl-7-[(2S)-1-(2-piperidin-1-ylacetyl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-methyl-7-[(2S)-1-(2-piperidin-1-ylacetyl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 124985846) has the molecular formula C20H28N6O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-methyl-7-[(2S)-1-(2-piperidin-1-ylacetyl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-methyl-7-[(2S)-1-(2-piperidin-1-ylacetyl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 124985846
• Molecular Formula: C20H28N6O2
• Molecular Weight: 384.48 g/mol
• Exact Mass: 384.23
• IUPAC Name: N-methyl-7-[(2S)-1-(2-piperidin-1-ylacetyl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CNC(=O)c1cnn2c([C@@H]3CCCCN3C(=O)CN3CCCCC3)ccnc12
• InChI: InChI=1S/C20H28N6O2/c1-21-20(28)15-13-23-26-17(8-9-22-19(15)26)16-7-3-6-12-25(16)18(27)14-24-10-4-2-5-11-24/h8-9,13,16H,2-7,10-12,14H2,1H3,(H,21,28)/t16-/m0/s1
• InChIKey: NUOFHPOLSUDKMD-INIZCTEOSA-N
• XLogP: 1.63
• TPSA: 82.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.48
LogP ≤ 5	1.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-methyl-7-[(2S)-1-(2-piperidin-1-ylacetyl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 124985846) is N-methyl-7-[(2S)-1-(2-piperidin-1-ylacetyl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

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

The canonical SMILES for N-methyl-7-[(2S)-1-(2-piperidin-1-ylacetyl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNC(=O)c1cnn2c([C@@H]3CCCCN3C(=O)CN3CCCCC3)ccnc12.

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

The InChIKey is NUOFHPOLSUDKMD-INIZCTEOSA-N. The full InChI is InChI=1S/C20H28N6O2/c1-21-20(28)15-13-23-26-17(8-9-22-19(15)26)16-7-3-6-12-25(16)18(27)14-24-10-4-2-5-11-24/h8-9,13,16H,2-7,10-12,14H2,1H3,(H,21,28)/t16-/m0/s1.

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

N-methyl-7-[(2S)-1-(2-piperidin-1-ylacetyl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-7-[(2S)-1-(2-piperidin-1-ylacetyl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 124985846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).