6-fluoro-N-[2-(hydroxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H22FN5O4 — CID 129284298

About 6-fluoro-N-[2-(hydroxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

6-fluoro-N-[2-(hydroxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 129284298) has the molecular formula C21H22FN5O4 and a molecular weight of 427.44 g/mol. Its IUPAC name is 6-fluoro-N-[2-(hydroxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 6-fluoro-N-[2-(hydroxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 129284298
• Molecular Formula: C21H22FN5O4
• Molecular Weight: 427.44 g/mol
• Exact Mass: 427.17
• IUPAC Name: 6-fluoro-N-[2-(hydroxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CC1(CO)Cc2cc(NC(=O)c3cnn4cc(F)cnc34)c(N3CCOCC3)cc2O1
• InChI: InChI=1S/C21H22FN5O4/c1-21(12-28)8-13-6-16(17(7-18(13)31-21)26-2-4-30-5-3-26)25-20(29)15-10-24-27-11-14(22)9-23-19(15)27/h6-7,9-11,28H,2-5,8,12H2,1H3,(H,25,29)
• InChIKey: ZCFTYKBUNNSBMH-UHFFFAOYSA-N
• XLogP: 1.64
• TPSA: 101.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	427.44
LogP ≤ 5	1.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 6-fluoro-N-[2-(hydroxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 129284298) is 6-fluoro-N-[2-(hydroxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

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

The canonical SMILES for 6-fluoro-N-[2-(hydroxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC1(CO)Cc2cc(NC(=O)c3cnn4cc(F)cnc34)c(N3CCOCC3)cc2O1.

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

The InChIKey is ZCFTYKBUNNSBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O4/c1-21(12-28)8-13-6-16(17(7-18(13)31-21)26-2-4-30-5-3-26)25-20(29)15-10-24-27-11-14(22)9-23-19(15)27/h6-7,9-11,28H,2-5,8,12H2,1H3,(H,25,29).

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

6-fluoro-N-[2-(hydroxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 427.44 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-fluoro-N-[2-(hydroxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 129284298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).