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

C22H24N6O4 — CID 129284270

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

N-[(2S)-2-methyl-2-(methylcarbamoyl)-6-morpholin-4-yl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 129284270) has the molecular formula C22H24N6O4 and a molecular weight of 436.47 g/mol. Its IUPAC name is N-[(2S)-2-methyl-2-(methylcarbamoyl)-6-morpholin-4-yl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-2-methyl-2-(methylcarbamoyl)-6-morpholin-4-yl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 129284270
• Molecular Formula: C22H24N6O4
• Molecular Weight: 436.47 g/mol
• Exact Mass: 436.19
• IUPAC Name: N-[(2S)-2-methyl-2-(methylcarbamoyl)-6-morpholin-4-yl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CNC(=O)[C@]1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(N3CCOCC3)cc2O1
• InChI: InChI=1S/C22H24N6O4/c1-22(21(30)23-2)12-14-10-16(17(11-18(14)32-22)27-6-8-31-9-7-27)26-20(29)15-13-25-28-5-3-4-24-19(15)28/h3-5,10-11,13H,6-9,12H2,1-2H3,(H,23,30)(H,26,29)/t22-/m0/s1
• InChIKey: COVGLOKWIWMWEQ-QFIPXVFZSA-N
• XLogP: 1.26
• TPSA: 110.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.47
LogP ≤ 5	1.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[(2S)-2-methyl-2-(methylcarbamoyl)-6-morpholin-4-yl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 129284270) is N-[(2S)-2-methyl-2-(methylcarbamoyl)-6-morpholin-4-yl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

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

The canonical SMILES for N-[(2S)-2-methyl-2-(methylcarbamoyl)-6-morpholin-4-yl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNC(=O)[C@]1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(N3CCOCC3)cc2O1.

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

The InChIKey is COVGLOKWIWMWEQ-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H24N6O4/c1-22(21(30)23-2)12-14-10-16(17(11-18(14)32-22)27-6-8-31-9-7-27)26-20(29)15-13-25-28-5-3-4-24-19(15)28/h3-5,10-11,13H,6-9,12H2,1-2H3,(H,23,30)(H,26,29)/t22-/m0/s1.

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

N-[(2S)-2-methyl-2-(methylcarbamoyl)-6-morpholin-4-yl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 436.47 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-2-methyl-2-(methylcarbamoyl)-6-morpholin-4-yl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 129284270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).