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

C25H26FN7O5 — CID 59461597

About 7-N-[(3S)-1-tert-butyl-2-oxopyrrolidin-3-yl]-3-fluoro-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]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (PubChem CID 59461597) has the molecular formula C25H26FN7O5 and a molecular weight of 523.53 g/mol. Its IUPAC name is 7-N-[(3S)-1-tert-butyl-2-oxopyrrolidin-3-yl]-3-fluoro-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]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
• PubChem CID: 59461597
• Molecular Formula: C25H26FN7O5
• Molecular Weight: 523.53 g/mol
• Exact Mass: 523.20
• IUPAC Name: 7-N-[(3S)-1-tert-butyl-2-oxopyrrolidin-3-yl]-3-fluoro-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)n4ncc(F)c4n3)cc21
• InChI: InChI=1S/C25H26FN7O5/c1-25(2,3)32-8-7-15(23(32)36)30-22(35)18-10-16(29-20-14(26)12-28-33(18)20)21(34)27-11-13-5-6-19-17(9-13)31(4)24(37)38-19/h5-6,9-10,12,15H,7-8,11H2,1-4H3,(H,27,34)(H,30,35)/t15-/m0/s1
• InChIKey: SCYDQWUJBMFUFN-HNNXBMFYSA-N
• XLogP: 1.37
• TPSA: 143.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	523.53
LogP ≤ 5	1.37
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]-3-fluoro-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]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (CID 59461597) is 7-N-[(3S)-1-tert-butyl-2-oxopyrrolidin-3-yl]-3-fluoro-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]-3-fluoro-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]-3-fluoro-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)n4ncc(F)c4n3)cc21.

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

The InChIKey is SCYDQWUJBMFUFN-HNNXBMFYSA-N. The full InChI is InChI=1S/C25H26FN7O5/c1-25(2,3)32-8-7-15(23(32)36)30-22(35)18-10-16(29-20-14(26)12-28-33(18)20)21(34)27-11-13-5-6-19-17(9-13)31(4)24(37)38-19/h5-6,9-10,12,15H,7-8,11H2,1-4H3,(H,27,34)(H,30,35)/t15-/m0/s1.

What are the key properties of 7-N-[(3S)-1-tert-butyl-2-oxopyrrolidin-3-yl]-3-fluoro-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]-3-fluoro-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 523.53 g/mol, XLogP of 1.37, 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]-3-fluoro-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 59461597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).