N-[2,2-dimethyl-6-(2-methyl-1,3-dioxan-5-yl)-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C22H24N4O4 — CID 129298284

About N-[2,2-dimethyl-6-(2-methyl-1,3-dioxan-5-yl)-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[2,2-dimethyl-6-(2-methyl-1,3-dioxan-5-yl)-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 129298284) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is N-[2,2-dimethyl-6-(2-methyl-1,3-dioxan-5-yl)-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[2,2-dimethyl-6-(2-methyl-1,3-dioxan-5-yl)-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 129298284
• Molecular Formula: C22H24N4O4
• Molecular Weight: 408.46 g/mol
• Exact Mass: 408.18
• IUPAC Name: N-[2,2-dimethyl-6-(2-methyl-1,3-dioxan-5-yl)-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CC1OCC(c2cc3c(cc2NC(=O)c2cnn4cccnc24)CC(C)(C)O3)CO1
• InChI: InChI=1S/C22H24N4O4/c1-13-28-11-15(12-29-13)16-8-19-14(9-22(2,3)30-19)7-18(16)25-21(27)17-10-24-26-6-4-5-23-20(17)26/h4-8,10,13,15H,9,11-12H2,1-3H3,(H,25,27)
• InChIKey: GZEHDOPDYBNROL-UHFFFAOYSA-N
• XLogP: 3.17
• TPSA: 86.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	408.46
LogP ≤ 5	3.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[2,2-dimethyl-6-(2-methyl-1,3-dioxan-5-yl)-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 129298284) is N-[2,2-dimethyl-6-(2-methyl-1,3-dioxan-5-yl)-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

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

The canonical SMILES for N-[2,2-dimethyl-6-(2-methyl-1,3-dioxan-5-yl)-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC1OCC(c2cc3c(cc2NC(=O)c2cnn4cccnc24)CC(C)(C)O3)CO1.

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

The InChIKey is GZEHDOPDYBNROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4/c1-13-28-11-15(12-29-13)16-8-19-14(9-22(2,3)30-19)7-18(16)25-21(27)17-10-24-26-6-4-5-23-20(17)26/h4-8,10,13,15H,9,11-12H2,1-3H3,(H,25,27).

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

N-[2,2-dimethyl-6-(2-methyl-1,3-dioxan-5-yl)-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 408.46 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2,2-dimethyl-6-(2-methyl-1,3-dioxan-5-yl)-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 129298284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).