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

C17H30F4N8O — CID 129133809

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

2-amino-6-fluoro-N-[4-[2-methyl-4-(trifluoromethyl)imidazolidin-1-yl]piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 129133809) has the molecular formula C17H30F4N8O and a molecular weight of 438.47 g/mol. Its IUPAC name is 2-amino-6-fluoro-N-[4-[2-methyl-4-(trifluoromethyl)imidazolidin-1-yl]piperidin-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-[2-methyl-4-(trifluoromethyl)imidazolidin-1-yl]piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 129133809
• Molecular Formula: C17H30F4N8O
• Molecular Weight: 438.47 g/mol
• Exact Mass: 438.25
• IUPAC Name: 2-amino-6-fluoro-N-[4-[2-methyl-4-(trifluoromethyl)imidazolidin-1-yl]piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CC1NC(C(F)(F)F)CN1C1CCNCC1NC(=O)C1C(N)NN2CC(F)CNC12
• InChI: InChI=1S/C17H30F4N8O/c1-8-25-12(17(19,20)21)7-28(8)11-2-3-23-5-10(11)26-16(30)13-14(22)27-29-6-9(18)4-24-15(13)29/h8-15,23-25,27H,2-7,22H2,1H3,(H,26,30)
• InChIKey: AQRLUSPUJCTMMW-UHFFFAOYSA-N
• XLogP: -2.00
• TPSA: 109.72 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	438.47
LogP ≤ 5	-2.00
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-[2-methyl-4-(trifluoromethyl)imidazolidin-1-yl]piperidin-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-[2-methyl-4-(trifluoromethyl)imidazolidin-1-yl]piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 129133809) is 2-amino-6-fluoro-N-[4-[2-methyl-4-(trifluoromethyl)imidazolidin-1-yl]piperidin-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-[2-methyl-4-(trifluoromethyl)imidazolidin-1-yl]piperidin-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-[2-methyl-4-(trifluoromethyl)imidazolidin-1-yl]piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is CC1NC(C(F)(F)F)CN1C1CCNCC1NC(=O)C1C(N)NN2CC(F)CNC12.

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

The InChIKey is AQRLUSPUJCTMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30F4N8O/c1-8-25-12(17(19,20)21)7-28(8)11-2-3-23-5-10(11)26-16(30)13-14(22)27-29-6-9(18)4-24-15(13)29/h8-15,23-25,27H,2-7,22H2,1H3,(H,26,30).

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

2-amino-6-fluoro-N-[4-[2-methyl-4-(trifluoromethyl)imidazolidin-1-yl]piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 438.47 g/mol, XLogP of -2.00, 3 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-[2-methyl-4-(trifluoromethyl)imidazolidin-1-yl]piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 129133809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).