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

C22H20FN7O5 — CID 70309762

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

7-N-[(2S)-1-(azetidin-1-yl)-1-oxopropan-2-yl]-3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (PubChem CID 70309762) has the molecular formula C22H20FN7O5 and a molecular weight of 481.44 g/mol. Its IUPAC name is 7-N-[(2S)-1-(azetidin-1-yl)-1-oxopropan-2-yl]-3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide.

Molecular Properties

• Compound Name: 7-N-[(2S)-1-(azetidin-1-yl)-1-oxopropan-2-yl]-3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
• PubChem CID: 70309762
• Molecular Formula: C22H20FN7O5
• Molecular Weight: 481.44 g/mol
• Exact Mass: 481.15
• IUPAC Name: 7-N-[(2S)-1-(azetidin-1-yl)-1-oxopropan-2-yl]-3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
• SMILES: C[C@H](NC(=O)c1cc(C(=O)NCc2ccc3oc(=O)[nH]c3c2)nc2c(F)cnn12)C(=O)N1CCC1
• InChI: InChI=1S/C22H20FN7O5/c1-11(21(33)29-5-2-6-29)26-20(32)16-8-15(27-18-13(23)10-25-30(16)18)19(31)24-9-12-3-4-17-14(7-12)28-22(34)35-17/h3-4,7-8,10-11H,2,5-6,9H2,1H3,(H,24,31)(H,26,32)(H,28,34)/t11-/m0/s1
• InChIKey: SISFJLGJKZBKOE-NSHDSACASA-N
• XLogP: 0.58
• TPSA: 154.70 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.44
LogP ≤ 5	0.58
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 7-N-[(2S)-1-(azetidin-1-yl)-1-oxopropan-2-yl]-3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (CID 70309762) is 7-N-[(2S)-1-(azetidin-1-yl)-1-oxopropan-2-yl]-3-fluoro-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 7-N-[(2S)-1-(azetidin-1-yl)-1-oxopropan-2-yl]-3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?

The canonical SMILES for 7-N-[(2S)-1-(azetidin-1-yl)-1-oxopropan-2-yl]-3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is C[C@H](NC(=O)c1cc(C(=O)NCc2ccc3oc(=O)[nH]c3c2)nc2c(F)cnn12)C(=O)N1CCC1.

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

The InChIKey is SISFJLGJKZBKOE-NSHDSACASA-N. The full InChI is InChI=1S/C22H20FN7O5/c1-11(21(33)29-5-2-6-29)26-20(32)16-8-15(27-18-13(23)10-25-30(16)18)19(31)24-9-12-3-4-17-14(7-12)28-22(34)35-17/h3-4,7-8,10-11H,2,5-6,9H2,1H3,(H,24,31)(H,26,32)(H,28,34)/t11-/m0/s1.

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

7-N-[(2S)-1-(azetidin-1-yl)-1-oxopropan-2-yl]-3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide has a molecular weight of 481.44 g/mol, XLogP of 0.58, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-N-[(2S)-1-(azetidin-1-yl)-1-oxopropan-2-yl]-3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is sourced from PubChem (CID 70309762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).