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

C20H39FN8O — CID 134339958

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

2-amino-N-[6-butan-2-yl-4-(2-methylimidazolidin-1-yl)piperidin-3-yl]-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 134339958) has the molecular formula C20H39FN8O and a molecular weight of 426.59 g/mol. Its IUPAC name is 2-amino-N-[6-butan-2-yl-4-(2-methylimidazolidin-1-yl)piperidin-3-yl]-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 2-amino-N-[6-butan-2-yl-4-(2-methylimidazolidin-1-yl)piperidin-3-yl]-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 134339958
• Molecular Formula: C20H39FN8O
• Molecular Weight: 426.59 g/mol
• Exact Mass: 426.32
• IUPAC Name: 2-amino-N-[6-butan-2-yl-4-(2-methylimidazolidin-1-yl)piperidin-3-yl]-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CCC(C)C1CC(N2CCNC2C)C(NC(=O)C2C(N)NN3CC(F)CNC23)CN1
• InChI: InChI=1S/C20H39FN8O/c1-4-11(2)14-7-16(28-6-5-23-12(28)3)15(9-24-14)26-20(30)17-18(22)27-29-10-13(21)8-25-19(17)29/h11-19,23-25,27H,4-10,22H2,1-3H3,(H,26,30)
• InChIKey: LOPNLEKRMWVQNP-UHFFFAOYSA-N
• XLogP: -1.51
• TPSA: 109.72 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	426.59
LogP ≤ 5	-1.51
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 2-amino-N-[6-butan-2-yl-4-(2-methylimidazolidin-1-yl)piperidin-3-yl]-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 134339958) is 2-amino-N-[6-butan-2-yl-4-(2-methylimidazolidin-1-yl)piperidin-3-yl]-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

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

The canonical SMILES for 2-amino-N-[6-butan-2-yl-4-(2-methylimidazolidin-1-yl)piperidin-3-yl]-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is CCC(C)C1CC(N2CCNC2C)C(NC(=O)C2C(N)NN3CC(F)CNC23)CN1.

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

The InChIKey is LOPNLEKRMWVQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39FN8O/c1-4-11(2)14-7-16(28-6-5-23-12(28)3)15(9-24-14)26-20(30)17-18(22)27-29-10-13(21)8-25-19(17)29/h11-19,23-25,27H,4-10,22H2,1-3H3,(H,26,30).

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

2-amino-N-[6-butan-2-yl-4-(2-methylimidazolidin-1-yl)piperidin-3-yl]-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 426.59 g/mol, XLogP of -1.51, 5 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[6-butan-2-yl-4-(2-methylimidazolidin-1-yl)piperidin-3-yl]-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 134339958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).