3-fluoro-7-N-(2-oxobutyl)-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide

C22H20FN5O5 — CID 157429466

About 3-fluoro-7-N-(2-oxobutyl)-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide

3-fluoro-7-N-(2-oxobutyl)-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (PubChem CID 157429466) has the molecular formula C22H20FN5O5 and a molecular weight of 453.43 g/mol. Its IUPAC name is 3-fluoro-7-N-(2-oxobutyl)-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide.

Molecular Properties

• Compound Name: 3-fluoro-7-N-(2-oxobutyl)-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
• PubChem CID: 157429466
• Molecular Formula: C22H20FN5O5
• Molecular Weight: 453.43 g/mol
• Exact Mass: 453.14
• IUPAC Name: 3-fluoro-7-N-(2-oxobutyl)-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
• SMILES: CCC(=O)CNC(=O)c1cc(C(=O)NCc2ccc3c(c2)CC(=O)CO3)nc2c(F)cnn12
• InChI: InChI=1S/C22H20FN5O5/c1-2-14(29)9-25-22(32)18-7-17(27-20-16(23)10-26-28(18)20)21(31)24-8-12-3-4-19-13(5-12)6-15(30)11-33-19/h3-5,7,10H,2,6,8-9,11H2,1H3,(H,24,31)(H,25,32)
• InChIKey: BQIYZYOTCRLVSG-UHFFFAOYSA-N
• XLogP: 1.01
• TPSA: 131.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	453.43
LogP ≤ 5	1.01
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-7-N-(2-oxobutyl)-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?

The IUPAC name of 3-fluoro-7-N-(2-oxobutyl)-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (CID 157429466) is 3-fluoro-7-N-(2-oxobutyl)-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide.

What is the SMILES notation for 3-fluoro-7-N-(2-oxobutyl)-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?

The canonical SMILES for 3-fluoro-7-N-(2-oxobutyl)-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is CCC(=O)CNC(=O)c1cc(C(=O)NCc2ccc3c(c2)CC(=O)CO3)nc2c(F)cnn12.

What is the InChIKey of 3-fluoro-7-N-(2-oxobutyl)-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?

The InChIKey is BQIYZYOTCRLVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O5/c1-2-14(29)9-25-22(32)18-7-17(27-20-16(23)10-26-28(18)20)21(31)24-8-12-3-4-19-13(5-12)6-15(30)11-33-19/h3-5,7,10H,2,6,8-9,11H2,1H3,(H,24,31)(H,25,32).

What are the key properties of 3-fluoro-7-N-(2-oxobutyl)-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?

3-fluoro-7-N-(2-oxobutyl)-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide has a molecular weight of 453.43 g/mol, XLogP of 1.01, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-fluoro-7-N-(2-oxobutyl)-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is sourced from PubChem (CID 157429466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).