7-[(3S)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H22FN5O2 — CID 124942504

About 7-[(3S)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

7-[(3S)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 124942504) has the molecular formula C21H22FN5O2 and a molecular weight of 395.44 g/mol. Its IUPAC name is 7-[(3S)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 7-[(3S)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 124942504
• Molecular Formula: C21H22FN5O2
• Molecular Weight: 395.44 g/mol
• Exact Mass: 395.18
• IUPAC Name: 7-[(3S)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CNC(=O)c1cnn2c([C@H]3CCCN(C(=O)Cc4ccc(F)cc4)C3)ccnc12
• InChI: InChI=1S/C21H22FN5O2/c1-23-21(29)17-12-25-27-18(8-9-24-20(17)27)15-3-2-10-26(13-15)19(28)11-14-4-6-16(22)7-5-14/h4-9,12,15H,2-3,10-11,13H2,1H3,(H,23,29)/t15-/m0/s1
• InChIKey: AVQWWZCMPCCJDJ-HNNXBMFYSA-N
• XLogP: 2.18
• TPSA: 79.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.44
LogP ≤ 5	2.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 7-[(3S)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of 7-[(3S)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 124942504) is 7-[(3S)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 7-[(3S)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for 7-[(3S)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is CNC(=O)c1cnn2c([C@H]3CCCN(C(=O)Cc4ccc(F)cc4)C3)ccnc12.

What is the InChIKey of 7-[(3S)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is AVQWWZCMPCCJDJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H22FN5O2/c1-23-21(29)17-12-25-27-18(8-9-24-20(17)27)15-3-2-10-26(13-15)19(28)11-14-4-6-16(22)7-5-14/h4-9,12,15H,2-3,10-11,13H2,1H3,(H,23,29)/t15-/m0/s1.

What are the key properties of 7-[(3S)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

7-[(3S)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 395.44 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(3S)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 124942504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).