7-N-[(2-carbamoyl-4-methylphenyl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(1-methylazetidin-3-yl)-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide

C47H44N14O9 — CID 91452955

About 7-N-[(2-carbamoyl-4-methylphenyl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(1-methylazetidin-3-yl)-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide

7-N-[(2-carbamoyl-4-methylphenyl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(1-methylazetidin-3-yl)-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (PubChem CID 91452955) has the molecular formula C47H44N14O9 and a molecular weight of 948.96 g/mol. Its IUPAC name is 7-N-[(2-carbamoyl-4-methylphenyl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(1-methylazetidin-3-yl)-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide.

Molecular Properties

• Compound Name: 7-N-[(2-carbamoyl-4-methylphenyl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(1-methylazetidin-3-yl)-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
• PubChem CID: 91452955
• Molecular Formula: C47H44N14O9
• Molecular Weight: 948.96 g/mol
• Exact Mass: 948.34
• IUPAC Name: 7-N-[(2-carbamoyl-4-methylphenyl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(1-methylazetidin-3-yl)-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
• SMILES: CN1CC(NC(=O)c2cc(C(=O)NCc3ccc4c(c3)NC(=O)CO4)nc3ccnn23)C1.Cc1ccc(CNC(=O)c2cc(C(=O)NCc3ccc4oc(=O)n(C)c4c3)nc3ccnn23)c(C(N)=O)c1
• InChI: InChI=1S/C26H23N7O5.C21H21N7O4/c1-14-3-5-16(17(9-14)23(27)34)13-29-25(36)20-11-18(31-22-7-8-30-33(20)22)24(35)28-12-15-4-6-21-19(10-15)32(2)26(37)38-21;1-27-9-13(10-27)24-21(31)16-7-15(25-18-4-5-23-28(16)18)20(30)22-8-12-2-3-17-14(6-12)26-19(29)11-32-17/h3-11H,12-13H2,1-2H3,(H2,27,34)(H,28,35)(H,29,36);2-7,13H,8-11H2,1H3,(H,22,30)(H,24,31)(H,26,29)
• InChIKey: YTFPDNUGQPMPNB-UHFFFAOYSA-N
• XLogP: 1.48
• TPSA: 296.58 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 17
• Rotatable Bonds: 12
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	948.96
LogP ≤ 5	1.48
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 7-N-[(2-carbamoyl-4-methylphenyl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(1-methylazetidin-3-yl)-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?

The IUPAC name of 7-N-[(2-carbamoyl-4-methylphenyl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(1-methylazetidin-3-yl)-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (CID 91452955) is 7-N-[(2-carbamoyl-4-methylphenyl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(1-methylazetidin-3-yl)-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide.

What is the SMILES notation for 7-N-[(2-carbamoyl-4-methylphenyl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(1-methylazetidin-3-yl)-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?

The canonical SMILES for 7-N-[(2-carbamoyl-4-methylphenyl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(1-methylazetidin-3-yl)-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is CN1CC(NC(=O)c2cc(C(=O)NCc3ccc4c(c3)NC(=O)CO4)nc3ccnn23)C1.Cc1ccc(CNC(=O)c2cc(C(=O)NCc3ccc4oc(=O)n(C)c4c3)nc3ccnn23)c(C(N)=O)c1.

What is the InChIKey of 7-N-[(2-carbamoyl-4-methylphenyl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(1-methylazetidin-3-yl)-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?

The InChIKey is YTFPDNUGQPMPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N7O5.C21H21N7O4/c1-14-3-5-16(17(9-14)23(27)34)13-29-25(36)20-11-18(31-22-7-8-30-33(20)22)24(35)28-12-15-4-6-21-19(10-15)32(2)26(37)38-21;1-27-9-13(10-27)24-21(31)16-7-15(25-18-4-5-23-28(16)18)20(30)22-8-12-2-3-17-14(6-12)26-19(29)11-32-17/h3-11H,12-13H2,1-2H3,(H2,27,34)(H,28,35)(H,29,36);2-7,13H,8-11H2,1H3,(H,22,30)(H,24,31)(H,26,29).

What are the key properties of 7-N-[(2-carbamoyl-4-methylphenyl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(1-methylazetidin-3-yl)-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?

7-N-[(2-carbamoyl-4-methylphenyl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(1-methylazetidin-3-yl)-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide has a molecular weight of 948.96 g/mol, XLogP of 1.48, 12 rotatable bonds, 6 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 7-N-[(2-carbamoyl-4-methylphenyl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(1-methylazetidin-3-yl)-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is sourced from PubChem (CID 91452955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).