(7R)-7-(3-chlorophenyl)-6-N-(2,4-dimethylphenyl)-3-N-(4-fluorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide

C29H25ClFN5O2 — CID 136915762

About (7R)-7-(3-chlorophenyl)-6-N-(2,4-dimethylphenyl)-3-N-(4-fluorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide

(7R)-7-(3-chlorophenyl)-6-N-(2,4-dimethylphenyl)-3-N-(4-fluorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide (PubChem CID 136915762) has the molecular formula C29H25ClFN5O2 and a molecular weight of 530.00 g/mol. Its IUPAC name is (7R)-7-(3-chlorophenyl)-6-N-(2,4-dimethylphenyl)-3-N-(4-fluorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide.

Molecular Properties

• Compound Name: (7R)-7-(3-chlorophenyl)-6-N-(2,4-dimethylphenyl)-3-N-(4-fluorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide
• PubChem CID: 136915762
• Molecular Formula: C29H25ClFN5O2
• Molecular Weight: 530.00 g/mol
• Exact Mass: 529.17
• IUPAC Name: (7R)-7-(3-chlorophenyl)-6-N-(2,4-dimethylphenyl)-3-N-(4-fluorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide
• SMILES: CC1=C(C(=O)Nc2ccc(C)cc2C)[C@@H](c2cccc(Cl)c2)n2ncc(C(=O)Nc3ccc(F)cc3)c2N1
• InChI: InChI=1S/C29H25ClFN5O2/c1-16-7-12-24(17(2)13-16)35-29(38)25-18(3)33-27-23(28(37)34-22-10-8-21(31)9-11-22)15-32-36(27)26(25)19-5-4-6-20(30)14-19/h4-15,26,33H,1-3H3,(H,34,37)(H,35,38)/t26-/m1/s1
• InChIKey: PDEIFBVIZWZBCY-AREMUKBSSA-N
• XLogP: 6.47
• TPSA: 88.05 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	530.00
LogP ≤ 5	6.47
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (7R)-7-(3-chlorophenyl)-6-N-(2,4-dimethylphenyl)-3-N-(4-fluorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide?

The IUPAC name of (7R)-7-(3-chlorophenyl)-6-N-(2,4-dimethylphenyl)-3-N-(4-fluorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide (CID 136915762) is (7R)-7-(3-chlorophenyl)-6-N-(2,4-dimethylphenyl)-3-N-(4-fluorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide.

What is the SMILES notation for (7R)-7-(3-chlorophenyl)-6-N-(2,4-dimethylphenyl)-3-N-(4-fluorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide?

The canonical SMILES for (7R)-7-(3-chlorophenyl)-6-N-(2,4-dimethylphenyl)-3-N-(4-fluorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide is CC1=C(C(=O)Nc2ccc(C)cc2C)[C@@H](c2cccc(Cl)c2)n2ncc(C(=O)Nc3ccc(F)cc3)c2N1.

What is the InChIKey of (7R)-7-(3-chlorophenyl)-6-N-(2,4-dimethylphenyl)-3-N-(4-fluorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide?

The InChIKey is PDEIFBVIZWZBCY-AREMUKBSSA-N. The full InChI is InChI=1S/C29H25ClFN5O2/c1-16-7-12-24(17(2)13-16)35-29(38)25-18(3)33-27-23(28(37)34-22-10-8-21(31)9-11-22)15-32-36(27)26(25)19-5-4-6-20(30)14-19/h4-15,26,33H,1-3H3,(H,34,37)(H,35,38)/t26-/m1/s1.

What are the key properties of (7R)-7-(3-chlorophenyl)-6-N-(2,4-dimethylphenyl)-3-N-(4-fluorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide?

(7R)-7-(3-chlorophenyl)-6-N-(2,4-dimethylphenyl)-3-N-(4-fluorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide has a molecular weight of 530.00 g/mol, XLogP of 6.47, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (7R)-7-(3-chlorophenyl)-6-N-(2,4-dimethylphenyl)-3-N-(4-fluorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide is sourced from PubChem (CID 136915762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).