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

C25H21F2N7O5 — CID 70947519

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

3-fluoro-7-N-[[5-(1-fluoroethoxy)-3-pyridinyl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (PubChem CID 70947519) has the molecular formula C25H21F2N7O5 and a molecular weight of 537.48 g/mol. Its IUPAC name is 3-fluoro-7-N-[[5-(1-fluoroethoxy)-3-pyridinyl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide.

Molecular Properties

• Compound Name: 3-fluoro-7-N-[[5-(1-fluoroethoxy)-3-pyridinyl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
• PubChem CID: 70947519
• Molecular Formula: C25H21F2N7O5
• Molecular Weight: 537.48 g/mol
• Exact Mass: 537.16
• IUPAC Name: 3-fluoro-7-N-[[5-(1-fluoroethoxy)-3-pyridinyl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
• SMILES: CC(F)Oc1cncc(CNC(=O)c2cc(C(=O)NCc3ccc4oc(=O)n(C)c4c3)nc3c(F)cnn23)c1
• InChI: InChI=1S/C25H21F2N7O5/c1-13(26)38-16-5-15(8-28-11-16)10-30-24(36)20-7-18(32-22-17(27)12-31-34(20)22)23(35)29-9-14-3-4-21-19(6-14)33(2)25(37)39-21/h3-8,11-13H,9-10H2,1-2H3,(H,29,35)(H,30,36)
• InChIKey: AZEDWJKOPRLVEE-UHFFFAOYSA-N
• XLogP: 2.26
• TPSA: 145.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	537.48
LogP ≤ 5	2.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 3-fluoro-7-N-[[5-(1-fluoroethoxy)-3-pyridinyl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (CID 70947519) is 3-fluoro-7-N-[[5-(1-fluoroethoxy)-3-pyridinyl]methyl]-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 3-fluoro-7-N-[[5-(1-fluoroethoxy)-3-pyridinyl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?

The canonical SMILES for 3-fluoro-7-N-[[5-(1-fluoroethoxy)-3-pyridinyl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is CC(F)Oc1cncc(CNC(=O)c2cc(C(=O)NCc3ccc4oc(=O)n(C)c4c3)nc3c(F)cnn23)c1.

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

The InChIKey is AZEDWJKOPRLVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F2N7O5/c1-13(26)38-16-5-15(8-28-11-16)10-30-24(36)20-7-18(32-22-17(27)12-31-34(20)22)23(35)29-9-14-3-4-21-19(6-14)33(2)25(37)39-21/h3-8,11-13H,9-10H2,1-2H3,(H,29,35)(H,30,36).

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

3-fluoro-7-N-[[5-(1-fluoroethoxy)-3-pyridinyl]methyl]-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 537.48 g/mol, XLogP of 2.26, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-fluoro-7-N-[[5-(1-fluoroethoxy)-3-pyridinyl]methyl]-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 70947519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).