(7R)-N-(2,4-dimethoxyphenyl)-3-methyl-5-oxo-2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide

C22H22N4O4 — CID 135940719

About (7R)-N-(2,4-dimethoxyphenyl)-3-methyl-5-oxo-2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide

(7R)-N-(2,4-dimethoxyphenyl)-3-methyl-5-oxo-2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide (PubChem CID 135940719) has the molecular formula C22H22N4O4 and a molecular weight of 406.44 g/mol. Its IUPAC name is (7R)-N-(2,4-dimethoxyphenyl)-3-methyl-5-oxo-2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide.

Molecular Properties

• Compound Name: (7R)-N-(2,4-dimethoxyphenyl)-3-methyl-5-oxo-2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
• PubChem CID: 135940719
• Molecular Formula: C22H22N4O4
• Molecular Weight: 406.44 g/mol
• Exact Mass: 406.16
• IUPAC Name: (7R)-N-(2,4-dimethoxyphenyl)-3-methyl-5-oxo-2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
• SMILES: COc1ccc(NC(=O)[C@H]2CC(=O)Nc3c(C)c(-c4ccccc4)nn32)c(OC)c1
• InChI: InChI=1S/C22H22N4O4/c1-13-20(14-7-5-4-6-8-14)25-26-17(12-19(27)24-21(13)26)22(28)23-16-10-9-15(29-2)11-18(16)30-3/h4-11,17H,12H2,1-3H3,(H,23,28)(H,24,27)/t17-/m1/s1
• InChIKey: CAJHCZGFPVISGW-QGZVFWFLSA-N
• XLogP: 3.40
• TPSA: 94.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.44
LogP ≤ 5	3.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (7R)-N-(2,4-dimethoxyphenyl)-3-methyl-5-oxo-2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide?

The IUPAC name of (7R)-N-(2,4-dimethoxyphenyl)-3-methyl-5-oxo-2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide (CID 135940719) is (7R)-N-(2,4-dimethoxyphenyl)-3-methyl-5-oxo-2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide.

What is the SMILES notation for (7R)-N-(2,4-dimethoxyphenyl)-3-methyl-5-oxo-2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide?

The canonical SMILES for (7R)-N-(2,4-dimethoxyphenyl)-3-methyl-5-oxo-2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide is COc1ccc(NC(=O)[C@H]2CC(=O)Nc3c(C)c(-c4ccccc4)nn32)c(OC)c1.

What is the InChIKey of (7R)-N-(2,4-dimethoxyphenyl)-3-methyl-5-oxo-2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide?

The InChIKey is CAJHCZGFPVISGW-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H22N4O4/c1-13-20(14-7-5-4-6-8-14)25-26-17(12-19(27)24-21(13)26)22(28)23-16-10-9-15(29-2)11-18(16)30-3/h4-11,17H,12H2,1-3H3,(H,23,28)(H,24,27)/t17-/m1/s1.

What are the key properties of (7R)-N-(2,4-dimethoxyphenyl)-3-methyl-5-oxo-2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide?

(7R)-N-(2,4-dimethoxyphenyl)-3-methyl-5-oxo-2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide has a molecular weight of 406.44 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (7R)-N-(2,4-dimethoxyphenyl)-3-methyl-5-oxo-2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 135940719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).