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

C19H25FN10O2 — CID 146580543

About 2-amino-6-fluoro-N-[4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-6-fluoro-N-[4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 146580543) has the molecular formula C19H25FN10O2 and a molecular weight of 444.48 g/mol. Its IUPAC name is 2-amino-6-fluoro-N-[4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 2-amino-6-fluoro-N-[4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 146580543
• Molecular Formula: C19H25FN10O2
• Molecular Weight: 444.48 g/mol
• Exact Mass: 444.21
• IUPAC Name: 2-amino-6-fluoro-N-[4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: Cc1nnc(N2CCN(C3CCNCC3NC(=O)c3c(N)nn4cc(F)cnc34)CC2)o1
• InChI: InChI=1S/C19H25FN10O2/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/h8,10,13-14,22H,2-7,9H2,1H3,(H2,21,27)(H,24,31)
• InChIKey: SQUCBVJSQDCTHZ-UHFFFAOYSA-N
• XLogP: -0.58
• TPSA: 142.74 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	444.48
LogP ≤ 5	-0.58
H-Bond Donors ≤ 5	3
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-oxadiazol-2-yl)piperazin-1-yl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of 2-amino-6-fluoro-N-[4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 146580543) is 2-amino-6-fluoro-N-[4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 2-amino-6-fluoro-N-[4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for 2-amino-6-fluoro-N-[4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]piperidin-3-yl]pyrazolo[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-oxadiazol-2-yl)piperazin-1-yl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is SQUCBVJSQDCTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN10O2/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/h8,10,13-14,22H,2-7,9H2,1H3,(H2,21,27)(H,24,31).

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

2-amino-6-fluoro-N-[4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 444.48 g/mol, XLogP of -0.58, 4 rotatable bonds, 3 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-oxadiazol-2-yl)piperazin-1-yl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 146580543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).