N-[(2R)-6-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-(hydroxymethyl)-2-methyl-3H-1-benzofuran-5-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H25F3N6O3 — CID 129283967

About N-[(2R)-6-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-(hydroxymethyl)-2-methyl-3H-1-benzofuran-5-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(2R)-6-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-(hydroxymethyl)-2-methyl-3H-1-benzofuran-5-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 129283967) has the molecular formula C23H25F3N6O3 and a molecular weight of 490.49 g/mol. Its IUPAC name is N-[(2R)-6-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-(hydroxymethyl)-2-methyl-3H-1-benzofuran-5-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2R)-6-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-(hydroxymethyl)-2-methyl-3H-1-benzofuran-5-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 129283967
• Molecular Formula: C23H25F3N6O3
• Molecular Weight: 490.49 g/mol
• Exact Mass: 490.19
• IUPAC Name: N-[(2R)-6-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-(hydroxymethyl)-2-methyl-3H-1-benzofuran-5-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: C[C@]1(CO)Cc2cc(NC(=O)c3cnn4cc(F)cnc34)c(N3CCN(CC(F)F)CC3)cc2O1
• InChI: InChI=1S/C23H25F3N6O3/c1-23(13-33)8-14-6-17(29-22(34)16-10-28-32-11-15(24)9-27-21(16)32)18(7-19(14)35-23)31-4-2-30(3-5-31)12-20(25)26/h6-7,9-11,20,33H,2-5,8,12-13H2,1H3,(H,29,34)/t23-/m1/s1
• InChIKey: WCAIOHLCUQOHMQ-HSZRJFAPSA-N
• XLogP: 2.19
• TPSA: 95.23 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.49
LogP ≤ 5	2.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-6-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-(hydroxymethyl)-2-methyl-3H-1-benzofuran-5-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[(2R)-6-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-(hydroxymethyl)-2-methyl-3H-1-benzofuran-5-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 129283967) is N-[(2R)-6-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-(hydroxymethyl)-2-methyl-3H-1-benzofuran-5-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[(2R)-6-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-(hydroxymethyl)-2-methyl-3H-1-benzofuran-5-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[(2R)-6-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-(hydroxymethyl)-2-methyl-3H-1-benzofuran-5-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide is C[C@]1(CO)Cc2cc(NC(=O)c3cnn4cc(F)cnc34)c(N3CCN(CC(F)F)CC3)cc2O1.

What is the InChIKey of N-[(2R)-6-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-(hydroxymethyl)-2-methyl-3H-1-benzofuran-5-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is WCAIOHLCUQOHMQ-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H25F3N6O3/c1-23(13-33)8-14-6-17(29-22(34)16-10-28-32-11-15(24)9-27-21(16)32)18(7-19(14)35-23)31-4-2-30(3-5-31)12-20(25)26/h6-7,9-11,20,33H,2-5,8,12-13H2,1H3,(H,29,34)/t23-/m1/s1.

What are the key properties of N-[(2R)-6-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-(hydroxymethyl)-2-methyl-3H-1-benzofuran-5-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[(2R)-6-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-(hydroxymethyl)-2-methyl-3H-1-benzofuran-5-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 490.49 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-6-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-(hydroxymethyl)-2-methyl-3H-1-benzofuran-5-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 129283967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).