2-amino-6-fluoro-N-[4-[(3S)-piperidin-3-yl]oxypiperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

C17H32FN7O2 — CID 140643719

About 2-amino-6-fluoro-N-[4-[(3S)-piperidin-3-yl]oxypiperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-6-fluoro-N-[4-[(3S)-piperidin-3-yl]oxypiperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 140643719) has the molecular formula C17H32FN7O2 and a molecular weight of 385.49 g/mol. Its IUPAC name is 2-amino-6-fluoro-N-[4-[(3S)-piperidin-3-yl]oxypiperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 2-amino-6-fluoro-N-[4-[(3S)-piperidin-3-yl]oxypiperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 140643719
• Molecular Formula: C17H32FN7O2
• Molecular Weight: 385.49 g/mol
• Exact Mass: 385.26
• IUPAC Name: 2-amino-6-fluoro-N-[4-[(3S)-piperidin-3-yl]oxypiperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: NC1NN2CC(F)CNC2C1C(=O)NC1CNCCC1O[C@H]1CCCNC1
• InChI: InChI=1S/C17H32FN7O2/c18-10-6-22-16-14(15(19)24-25(16)9-10)17(26)23-12-8-21-5-3-13(12)27-11-2-1-4-20-7-11/h10-16,20-22,24H,1-9,19H2,(H,23,26)/t10?,11-,12?,13?,14?,15?,16?/m0/s1
• InChIKey: JIUNJSMRALXIEN-KBCKEUKZSA-N
• XLogP: -2.41
• TPSA: 115.71 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	385.49
LogP ≤ 5	-2.41
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-fluoro-N-[4-[(3S)-piperidin-3-yl]oxypiperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of 2-amino-6-fluoro-N-[4-[(3S)-piperidin-3-yl]oxypiperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 140643719) is 2-amino-6-fluoro-N-[4-[(3S)-piperidin-3-yl]oxypiperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 2-amino-6-fluoro-N-[4-[(3S)-piperidin-3-yl]oxypiperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for 2-amino-6-fluoro-N-[4-[(3S)-piperidin-3-yl]oxypiperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is NC1NN2CC(F)CNC2C1C(=O)NC1CNCCC1O[C@H]1CCCNC1.

What is the InChIKey of 2-amino-6-fluoro-N-[4-[(3S)-piperidin-3-yl]oxypiperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is JIUNJSMRALXIEN-KBCKEUKZSA-N. The full InChI is InChI=1S/C17H32FN7O2/c18-10-6-22-16-14(15(19)24-25(16)9-10)17(26)23-12-8-21-5-3-13(12)27-11-2-1-4-20-7-11/h10-16,20-22,24H,1-9,19H2,(H,23,26)/t10?,11-,12?,13?,14?,15?,16?/m0/s1.

What are the key properties of 2-amino-6-fluoro-N-[4-[(3S)-piperidin-3-yl]oxypiperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?

2-amino-6-fluoro-N-[4-[(3S)-piperidin-3-yl]oxypiperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 385.49 g/mol, XLogP of -2.41, 4 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-6-fluoro-N-[4-[(3S)-piperidin-3-yl]oxypiperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 140643719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).