7-N-[(3S)-1-tert-butyl-2-oxopyrrolidin-3-yl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide

C25H27N7O5 — CID 59462999

About 7-N-[(3S)-1-tert-butyl-2-oxopyrrolidin-3-yl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide

7-N-[(3S)-1-tert-butyl-2-oxopyrrolidin-3-yl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (PubChem CID 59462999) has the molecular formula C25H27N7O5 and a molecular weight of 505.54 g/mol. Its IUPAC name is 7-N-[(3S)-1-tert-butyl-2-oxopyrrolidin-3-yl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide.

Molecular Properties

• Compound Name: 7-N-[(3S)-1-tert-butyl-2-oxopyrrolidin-3-yl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
• PubChem CID: 59462999
• Molecular Formula: C25H27N7O5
• Molecular Weight: 505.54 g/mol
• Exact Mass: 505.21
• IUPAC Name: 7-N-[(3S)-1-tert-butyl-2-oxopyrrolidin-3-yl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
• SMILES: Cn1c(=O)oc2ccc(CNC(=O)c3cc(C(=O)N[C@H]4CCN(C(C)(C)C)C4=O)n4nccc4n3)cc21
• InChI: InChI=1S/C25H27N7O5/c1-25(2,3)31-10-8-15(23(31)35)29-22(34)18-12-16(28-20-7-9-27-32(18)20)21(33)26-13-14-5-6-19-17(11-14)30(4)24(36)37-19/h5-7,9,11-12,15H,8,10,13H2,1-4H3,(H,26,33)(H,29,34)/t15-/m0/s1
• InChIKey: LIMJDZCNLSPVBB-HNNXBMFYSA-N
• XLogP: 1.23
• TPSA: 143.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.54
LogP ≤ 5	1.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 7-N-[(3S)-1-tert-butyl-2-oxopyrrolidin-3-yl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?

The IUPAC name of 7-N-[(3S)-1-tert-butyl-2-oxopyrrolidin-3-yl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (CID 59462999) is 7-N-[(3S)-1-tert-butyl-2-oxopyrrolidin-3-yl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide.

What is the SMILES notation for 7-N-[(3S)-1-tert-butyl-2-oxopyrrolidin-3-yl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?

The canonical SMILES for 7-N-[(3S)-1-tert-butyl-2-oxopyrrolidin-3-yl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is Cn1c(=O)oc2ccc(CNC(=O)c3cc(C(=O)N[C@H]4CCN(C(C)(C)C)C4=O)n4nccc4n3)cc21.

What is the InChIKey of 7-N-[(3S)-1-tert-butyl-2-oxopyrrolidin-3-yl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?

The InChIKey is LIMJDZCNLSPVBB-HNNXBMFYSA-N. The full InChI is InChI=1S/C25H27N7O5/c1-25(2,3)31-10-8-15(23(31)35)29-22(34)18-12-16(28-20-7-9-27-32(18)20)21(33)26-13-14-5-6-19-17(11-14)30(4)24(36)37-19/h5-7,9,11-12,15H,8,10,13H2,1-4H3,(H,26,33)(H,29,34)/t15-/m0/s1.

What are the key properties of 7-N-[(3S)-1-tert-butyl-2-oxopyrrolidin-3-yl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?

7-N-[(3S)-1-tert-butyl-2-oxopyrrolidin-3-yl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide has a molecular weight of 505.54 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 7-N-[(3S)-1-tert-butyl-2-oxopyrrolidin-3-yl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is sourced from PubChem (CID 59462999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).