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

C21H19FN4O3 — CID 135940937

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

(7R)-N-(3-fluorophenyl)-2-(4-methoxyphenyl)-3-methyl-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide (PubChem CID 135940937) has the molecular formula C21H19FN4O3 and a molecular weight of 394.41 g/mol. Its IUPAC name is (7R)-N-(3-fluorophenyl)-2-(4-methoxyphenyl)-3-methyl-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide.

Molecular Properties

• Compound Name: (7R)-N-(3-fluorophenyl)-2-(4-methoxyphenyl)-3-methyl-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
• PubChem CID: 135940937
• Molecular Formula: C21H19FN4O3
• Molecular Weight: 394.41 g/mol
• Exact Mass: 394.14
• IUPAC Name: (7R)-N-(3-fluorophenyl)-2-(4-methoxyphenyl)-3-methyl-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
• SMILES: COc1ccc(-c2nn3c(c2C)NC(=O)C[C@@H]3C(=O)Nc2cccc(F)c2)cc1
• InChI: InChI=1S/C21H19FN4O3/c1-12-19(13-6-8-16(29-2)9-7-13)25-26-17(11-18(27)24-20(12)26)21(28)23-15-5-3-4-14(22)10-15/h3-10,17H,11H2,1-2H3,(H,23,28)(H,24,27)/t17-/m1/s1
• InChIKey: TZXMRVXSMKNEFY-QGZVFWFLSA-N
• XLogP: 3.53
• TPSA: 85.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.41
LogP ≤ 5	3.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (7R)-N-(3-fluorophenyl)-2-(4-methoxyphenyl)-3-methyl-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide (CID 135940937) is (7R)-N-(3-fluorophenyl)-2-(4-methoxyphenyl)-3-methyl-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide.

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

The canonical SMILES for (7R)-N-(3-fluorophenyl)-2-(4-methoxyphenyl)-3-methyl-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide is COc1ccc(-c2nn3c(c2C)NC(=O)C[C@@H]3C(=O)Nc2cccc(F)c2)cc1.

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

The InChIKey is TZXMRVXSMKNEFY-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H19FN4O3/c1-12-19(13-6-8-16(29-2)9-7-13)25-26-17(11-18(27)24-20(12)26)21(28)23-15-5-3-4-14(22)10-15/h3-10,17H,11H2,1-2H3,(H,23,28)(H,24,27)/t17-/m1/s1.

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

(7R)-N-(3-fluorophenyl)-2-(4-methoxyphenyl)-3-methyl-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide has a molecular weight of 394.41 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (7R)-N-(3-fluorophenyl)-2-(4-methoxyphenyl)-3-methyl-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 135940937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).