3-fluoro-7-N-[(2-methylpyrimidin-4-yl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide

C22H17FN8O4 — CID 59460647

About 3-fluoro-7-N-[(2-methylpyrimidin-4-yl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide

3-fluoro-7-N-[(2-methylpyrimidin-4-yl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (PubChem CID 59460647) has the molecular formula C22H17FN8O4 and a molecular weight of 476.43 g/mol. Its IUPAC name is 3-fluoro-7-N-[(2-methylpyrimidin-4-yl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide.

Molecular Properties

• Compound Name: 3-fluoro-7-N-[(2-methylpyrimidin-4-yl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
• PubChem CID: 59460647
• Molecular Formula: C22H17FN8O4
• Molecular Weight: 476.43 g/mol
• Exact Mass: 476.14
• IUPAC Name: 3-fluoro-7-N-[(2-methylpyrimidin-4-yl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
• SMILES: Cc1nccc(CNC(=O)c2cc(C(=O)NCc3ccc4oc(=O)[nH]c4c3)nc3c(F)cnn23)n1
• InChI: InChI=1S/C22H17FN8O4/c1-11-24-5-4-13(28-11)9-26-21(33)17-7-16(29-19-14(23)10-27-31(17)19)20(32)25-8-12-2-3-18-15(6-12)30-22(34)35-18/h2-7,10H,8-9H2,1H3,(H,25,32)(H,26,33)(H,30,34)
• InChIKey: RTVZSWZPGXIVPB-UHFFFAOYSA-N
• XLogP: 1.26
• TPSA: 160.17 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.43
LogP ≤ 5	1.26
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-7-N-[(2-methylpyrimidin-4-yl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?

The IUPAC name of 3-fluoro-7-N-[(2-methylpyrimidin-4-yl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (CID 59460647) is 3-fluoro-7-N-[(2-methylpyrimidin-4-yl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide.

What is the SMILES notation for 3-fluoro-7-N-[(2-methylpyrimidin-4-yl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?

The canonical SMILES for 3-fluoro-7-N-[(2-methylpyrimidin-4-yl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is Cc1nccc(CNC(=O)c2cc(C(=O)NCc3ccc4oc(=O)[nH]c4c3)nc3c(F)cnn23)n1.

What is the InChIKey of 3-fluoro-7-N-[(2-methylpyrimidin-4-yl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?

The InChIKey is RTVZSWZPGXIVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN8O4/c1-11-24-5-4-13(28-11)9-26-21(33)17-7-16(29-19-14(23)10-27-31(17)19)20(32)25-8-12-2-3-18-15(6-12)30-22(34)35-18/h2-7,10H,8-9H2,1H3,(H,25,32)(H,26,33)(H,30,34).

What are the key properties of 3-fluoro-7-N-[(2-methylpyrimidin-4-yl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?

3-fluoro-7-N-[(2-methylpyrimidin-4-yl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide has a molecular weight of 476.43 g/mol, XLogP of 1.26, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-fluoro-7-N-[(2-methylpyrimidin-4-yl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is sourced from PubChem (CID 59460647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).