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

C21H24FN5O4 — CID 145338332

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

6-fluoro-N-(2-methyl-6-morpholin-4-yl-2,3-dihydro-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;methanol (PubChem CID 145338332) has the molecular formula C21H24FN5O4 and a molecular weight of 429.45 g/mol. Its IUPAC name is 6-fluoro-N-(2-methyl-6-morpholin-4-yl-2,3-dihydro-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;methanol.

Molecular Properties

• Compound Name: 6-fluoro-N-(2-methyl-6-morpholin-4-yl-2,3-dihydro-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;methanol
• PubChem CID: 145338332
• Molecular Formula: C21H24FN5O4
• Molecular Weight: 429.45 g/mol
• Exact Mass: 429.18
• IUPAC Name: 6-fluoro-N-(2-methyl-6-morpholin-4-yl-2,3-dihydro-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;methanol
• SMILES: CC1Cc2cc(NC(=O)c3cnn4cc(F)cnc34)c(N3CCOCC3)cc2O1.CO
• InChI: InChI=1S/C20H20FN5O3.CH4O/c1-12-6-13-7-16(17(8-18(13)29-12)25-2-4-28-5-3-25)24-20(27)15-10-23-26-11-14(21)9-22-19(15)26;1-2/h7-12H,2-6H2,1H3,(H,24,27);2H,1H3
• InChIKey: WPVZOIGGPOGHQX-UHFFFAOYSA-N
• XLogP: 1.89
• TPSA: 101.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.45
LogP ≤ 5	1.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 6-fluoro-N-(2-methyl-6-morpholin-4-yl-2,3-dihydro-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;methanol (CID 145338332) is 6-fluoro-N-(2-methyl-6-morpholin-4-yl-2,3-dihydro-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;methanol.

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

The canonical SMILES for 6-fluoro-N-(2-methyl-6-morpholin-4-yl-2,3-dihydro-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;methanol is CC1Cc2cc(NC(=O)c3cnn4cc(F)cnc34)c(N3CCOCC3)cc2O1.CO.

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

The InChIKey is WPVZOIGGPOGHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O3.CH4O/c1-12-6-13-7-16(17(8-18(13)29-12)25-2-4-28-5-3-25)24-20(27)15-10-23-26-11-14(21)9-22-19(15)26;1-2/h7-12H,2-6H2,1H3,(H,24,27);2H,1H3.

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

6-fluoro-N-(2-methyl-6-morpholin-4-yl-2,3-dihydro-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;methanol has a molecular weight of 429.45 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-fluoro-N-(2-methyl-6-morpholin-4-yl-2,3-dihydro-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;methanol is sourced from PubChem (CID 145338332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).