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

C25H30F2N6O3 — CID 129284246

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

N-[6-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-(2-hydroxypropan-2-yl)-2-methyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 129284246) has the molecular formula C25H30F2N6O3 and a molecular weight of 500.55 g/mol. Its IUPAC name is N-[6-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-(2-hydroxypropan-2-yl)-2-methyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[6-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-(2-hydroxypropan-2-yl)-2-methyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 129284246
• Molecular Formula: C25H30F2N6O3
• Molecular Weight: 500.55 g/mol
• Exact Mass: 500.23
• IUPAC Name: N-[6-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-(2-hydroxypropan-2-yl)-2-methyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CC(C)(O)C1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(N3CCN(CC(F)F)CC3)cc2O1
• InChI: InChI=1S/C25H30F2N6O3/c1-24(2,35)25(3)13-16-11-18(30-23(34)17-14-29-33-6-4-5-28-22(17)33)19(12-20(16)36-25)32-9-7-31(8-10-32)15-21(26)27/h4-6,11-12,14,21,35H,7-10,13,15H2,1-3H3,(H,30,34)
• InChIKey: UCNQDQVXYNNWDM-UHFFFAOYSA-N
• XLogP: 2.83
• TPSA: 95.23 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.55
LogP ≤ 5	2.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[6-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-(2-hydroxypropan-2-yl)-2-methyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 129284246) is N-[6-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-(2-hydroxypropan-2-yl)-2-methyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

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

The canonical SMILES for N-[6-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-(2-hydroxypropan-2-yl)-2-methyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC(C)(O)C1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(N3CCN(CC(F)F)CC3)cc2O1.

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

The InChIKey is UCNQDQVXYNNWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30F2N6O3/c1-24(2,35)25(3)13-16-11-18(30-23(34)17-14-29-33-6-4-5-28-22(17)33)19(12-20(16)36-25)32-9-7-31(8-10-32)15-21(26)27/h4-6,11-12,14,21,35H,7-10,13,15H2,1-3H3,(H,30,34).

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

N-[6-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-(2-hydroxypropan-2-yl)-2-methyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 500.55 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-(2-hydroxypropan-2-yl)-2-methyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 129284246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).