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

C17H33FN8O2 — CID 129133382

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

2-amino-6-fluoro-N-[5-methoxy-4-(3-methylimidazolidin-4-yl)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 129133382) has the molecular formula C17H33FN8O2 and a molecular weight of 400.50 g/mol. Its IUPAC name is 2-amino-6-fluoro-N-[5-methoxy-4-(3-methylimidazolidin-4-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-[5-methoxy-4-(3-methylimidazolidin-4-yl)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 129133382
• Molecular Formula: C17H33FN8O2
• Molecular Weight: 400.50 g/mol
• Exact Mass: 400.27
• IUPAC Name: 2-amino-6-fluoro-N-[5-methoxy-4-(3-methylimidazolidin-4-yl)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: COC1CNCC(NC(=O)C2C(N)NN3CC(F)CNC23)C1C1CNCN1C
• InChI: InChI=1S/C17H33FN8O2/c1-25-8-21-5-11(25)13-10(4-20-6-12(13)28-2)23-17(27)14-15(19)24-26-7-9(18)3-22-16(14)26/h9-16,20-22,24H,3-8,19H2,1-2H3,(H,23,27)
• InChIKey: QNEGJQFFEBATSY-UHFFFAOYSA-N
• XLogP: -3.44
• TPSA: 118.95 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	400.50
LogP ≤ 5	-3.44
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-fluoro-N-[5-methoxy-4-(3-methylimidazolidin-4-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-[5-methoxy-4-(3-methylimidazolidin-4-yl)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 129133382) is 2-amino-6-fluoro-N-[5-methoxy-4-(3-methylimidazolidin-4-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-[5-methoxy-4-(3-methylimidazolidin-4-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-[5-methoxy-4-(3-methylimidazolidin-4-yl)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is COC1CNCC(NC(=O)C2C(N)NN3CC(F)CNC23)C1C1CNCN1C.

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

The InChIKey is QNEGJQFFEBATSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33FN8O2/c1-25-8-21-5-11(25)13-10(4-20-6-12(13)28-2)23-17(27)14-15(19)24-26-7-9(18)3-22-16(14)26/h9-16,20-22,24H,3-8,19H2,1-2H3,(H,23,27).

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

2-amino-6-fluoro-N-[5-methoxy-4-(3-methylimidazolidin-4-yl)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 400.50 g/mol, XLogP of -3.44, 4 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-6-fluoro-N-[5-methoxy-4-(3-methylimidazolidin-4-yl)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 129133382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).