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

C19H37FN10O2 — CID 134577847

About 2-amino-6-fluoro-N-[4-[4-(5-methyl-1,3,4-oxadiazolidin-2-yl)piperazin-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-[4-(5-methyl-1,3,4-oxadiazolidin-2-yl)piperazin-1-yl]piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 134577847) has the molecular formula C19H37FN10O2 and a molecular weight of 456.57 g/mol. Its IUPAC name is 2-amino-6-fluoro-N-[4-[4-(5-methyl-1,3,4-oxadiazolidin-2-yl)piperazin-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-[4-(5-methyl-1,3,4-oxadiazolidin-2-yl)piperazin-1-yl]piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 134577847
• Molecular Formula: C19H37FN10O2
• Molecular Weight: 456.57 g/mol
• Exact Mass: 456.31
• IUPAC Name: 2-amino-6-fluoro-N-[4-[4-(5-methyl-1,3,4-oxadiazolidin-2-yl)piperazin-1-yl]piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CC1NNC(N2CCN(C3CCNCC3NC(=O)C3C(N)NN4CC(F)CNC34)CC2)O1
• InChI: InChI=1S/C19H37FN10O2/c1-11-25-26-19(32-11)29-6-4-28(5-7-29)14-2-3-22-9-13(14)24-18(31)15-16(21)27-30-10-12(20)8-23-17(15)30/h11-17,19,22-23,25-27H,2-10,21H2,1H3,(H,24,31)
• InChIKey: MVGCHFIXZLFUIE-UHFFFAOYSA-N
• XLogP: -3.81
• TPSA: 134.22 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 11
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	456.57
LogP ≤ 5	-3.81
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-fluoro-N-[4-[4-(5-methyl-1,3,4-oxadiazolidin-2-yl)piperazin-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-[4-(5-methyl-1,3,4-oxadiazolidin-2-yl)piperazin-1-yl]piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 134577847) is 2-amino-6-fluoro-N-[4-[4-(5-methyl-1,3,4-oxadiazolidin-2-yl)piperazin-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-[4-(5-methyl-1,3,4-oxadiazolidin-2-yl)piperazin-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-[4-(5-methyl-1,3,4-oxadiazolidin-2-yl)piperazin-1-yl]piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is CC1NNC(N2CCN(C3CCNCC3NC(=O)C3C(N)NN4CC(F)CNC34)CC2)O1.

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

The InChIKey is MVGCHFIXZLFUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37FN10O2/c1-11-25-26-19(32-11)29-6-4-28(5-7-29)14-2-3-22-9-13(14)24-18(31)15-16(21)27-30-10-12(20)8-23-17(15)30/h11-17,19,22-23,25-27H,2-10,21H2,1H3,(H,24,31).

What are the key properties of 2-amino-6-fluoro-N-[4-[4-(5-methyl-1,3,4-oxadiazolidin-2-yl)piperazin-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-[4-(5-methyl-1,3,4-oxadiazolidin-2-yl)piperazin-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 456.57 g/mol, XLogP of -3.81, 4 rotatable bonds, 7 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-6-fluoro-N-[4-[4-(5-methyl-1,3,4-oxadiazolidin-2-yl)piperazin-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 134577847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).