N-[6-(4-hydroxycyclohexyl)oxy-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H26N4O4 — CID 129284029

About N-[6-(4-hydroxycyclohexyl)oxy-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[6-(4-hydroxycyclohexyl)oxy-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 129284029) has the molecular formula C23H26N4O4 and a molecular weight of 422.49 g/mol. Its IUPAC name is N-[6-(4-hydroxycyclohexyl)oxy-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[6-(4-hydroxycyclohexyl)oxy-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 129284029
• Molecular Formula: C23H26N4O4
• Molecular Weight: 422.49 g/mol
• Exact Mass: 422.20
• IUPAC Name: N-[6-(4-hydroxycyclohexyl)oxy-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(OC3CCC(O)CC3)cc2O1
• InChI: InChI=1S/C23H26N4O4/c1-23(2)12-14-10-18(26-22(29)17-13-25-27-9-3-8-24-21(17)27)20(11-19(14)31-23)30-16-6-4-15(28)5-7-16/h3,8-11,13,15-16,28H,4-7,12H2,1-2H3,(H,26,29)
• InChIKey: WSPVSQIURVZJGP-UHFFFAOYSA-N
• XLogP: 3.38
• TPSA: 97.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.49
LogP ≤ 5	3.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-hydroxycyclohexyl)oxy-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[6-(4-hydroxycyclohexyl)oxy-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 129284029) is N-[6-(4-hydroxycyclohexyl)oxy-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[6-(4-hydroxycyclohexyl)oxy-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[6-(4-hydroxycyclohexyl)oxy-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(OC3CCC(O)CC3)cc2O1.

What is the InChIKey of N-[6-(4-hydroxycyclohexyl)oxy-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is WSPVSQIURVZJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4/c1-23(2)12-14-10-18(26-22(29)17-13-25-27-9-3-8-24-21(17)27)20(11-19(14)31-23)30-16-6-4-15(28)5-7-16/h3,8-11,13,15-16,28H,4-7,12H2,1-2H3,(H,26,29).

What are the key properties of N-[6-(4-hydroxycyclohexyl)oxy-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[6-(4-hydroxycyclohexyl)oxy-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 422.49 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-(4-hydroxycyclohexyl)oxy-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 129284029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).