(7R)-N-(5-chloro-2-methoxyphenyl)-5-oxo-2-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide

C19H16ClN5O3 — CID 135938233

About (7R)-N-(5-chloro-2-methoxyphenyl)-5-oxo-2-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide

(7R)-N-(5-chloro-2-methoxyphenyl)-5-oxo-2-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide (PubChem CID 135938233) has the molecular formula C19H16ClN5O3 and a molecular weight of 397.82 g/mol. Its IUPAC name is (7R)-N-(5-chloro-2-methoxyphenyl)-5-oxo-2-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide.

Molecular Properties

• Compound Name: (7R)-N-(5-chloro-2-methoxyphenyl)-5-oxo-2-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
• PubChem CID: 135938233
• Molecular Formula: C19H16ClN5O3
• Molecular Weight: 397.82 g/mol
• Exact Mass: 397.09
• IUPAC Name: (7R)-N-(5-chloro-2-methoxyphenyl)-5-oxo-2-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
• SMILES: COc1ccc(Cl)cc1NC(=O)[C@H]1CC(=O)Nc2nc(-c3ccccc3)nn21
• InChI: InChI=1S/C19H16ClN5O3/c1-28-15-8-7-12(20)9-13(15)21-18(27)14-10-16(26)22-19-23-17(24-25(14)19)11-5-3-2-4-6-11/h2-9,14H,10H2,1H3,(H,21,27)(H,22,23,24,26)/t14-/m1/s1
• InChIKey: JRQBKWZKYCHVFP-CQSZACIVSA-N
• XLogP: 3.13
• TPSA: 98.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.82
LogP ≤ 5	3.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of (7R)-N-(5-chloro-2-methoxyphenyl)-5-oxo-2-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide (CID 135938233) is (7R)-N-(5-chloro-2-methoxyphenyl)-5-oxo-2-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide.

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

The canonical SMILES for (7R)-N-(5-chloro-2-methoxyphenyl)-5-oxo-2-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide is COc1ccc(Cl)cc1NC(=O)[C@H]1CC(=O)Nc2nc(-c3ccccc3)nn21.

What is the InChIKey of (7R)-N-(5-chloro-2-methoxyphenyl)-5-oxo-2-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide?

The InChIKey is JRQBKWZKYCHVFP-CQSZACIVSA-N. The full InChI is InChI=1S/C19H16ClN5O3/c1-28-15-8-7-12(20)9-13(15)21-18(27)14-10-16(26)22-19-23-17(24-25(14)19)11-5-3-2-4-6-11/h2-9,14H,10H2,1H3,(H,21,27)(H,22,23,24,26)/t14-/m1/s1.

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

(7R)-N-(5-chloro-2-methoxyphenyl)-5-oxo-2-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide has a molecular weight of 397.82 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (7R)-N-(5-chloro-2-methoxyphenyl)-5-oxo-2-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 135938233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).