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

C21H19FN4O4 — CID 135950448

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

(7R)-2-(3,4-dimethoxyphenyl)-N-(3-fluorophenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide (PubChem CID 135950448) has the molecular formula C21H19FN4O4 and a molecular weight of 410.41 g/mol. Its IUPAC name is (7R)-2-(3,4-dimethoxyphenyl)-N-(3-fluorophenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide.

Molecular Properties

• Compound Name: (7R)-2-(3,4-dimethoxyphenyl)-N-(3-fluorophenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
• PubChem CID: 135950448
• Molecular Formula: C21H19FN4O4
• Molecular Weight: 410.41 g/mol
• Exact Mass: 410.14
• IUPAC Name: (7R)-2-(3,4-dimethoxyphenyl)-N-(3-fluorophenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
• SMILES: COc1ccc(-c2cc3n(n2)[C@@H](C(=O)Nc2cccc(F)c2)CC(=O)N3)cc1OC
• InChI: InChI=1S/C21H19FN4O4/c1-29-17-7-6-12(8-18(17)30-2)15-10-19-24-20(27)11-16(26(19)25-15)21(28)23-14-5-3-4-13(22)9-14/h3-10,16H,11H2,1-2H3,(H,23,28)(H,24,27)/t16-/m1/s1
• InChIKey: NOFOXMLKYQYBEJ-MRXNPFEDSA-N
• XLogP: 3.23
• 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	410.41
LogP ≤ 5	3.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of (7R)-2-(3,4-dimethoxyphenyl)-N-(3-fluorophenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide (CID 135950448) is (7R)-2-(3,4-dimethoxyphenyl)-N-(3-fluorophenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide.

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

The canonical SMILES for (7R)-2-(3,4-dimethoxyphenyl)-N-(3-fluorophenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide is COc1ccc(-c2cc3n(n2)[C@@H](C(=O)Nc2cccc(F)c2)CC(=O)N3)cc1OC.

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

The InChIKey is NOFOXMLKYQYBEJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H19FN4O4/c1-29-17-7-6-12(8-18(17)30-2)15-10-19-24-20(27)11-16(26(19)25-15)21(28)23-14-5-3-4-13(22)9-14/h3-10,16H,11H2,1-2H3,(H,23,28)(H,24,27)/t16-/m1/s1.

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

(7R)-2-(3,4-dimethoxyphenyl)-N-(3-fluorophenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide has a molecular weight of 410.41 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (7R)-2-(3,4-dimethoxyphenyl)-N-(3-fluorophenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 135950448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).