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

C19H17N5O3 — CID 135830439

IUPAC(7R)-N-(2-methoxyphenyl)-5-oxo-2-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCOc1ccccc1NC(=O)[C@H]1CC(=O)Nc2nc(-c3ccccc3)nn21
InChIInChI=1S/C19H17N5O3/c1-27-15-10-6-5-9-13(15)20-18(26)14-11-16(25)21-19-22-17(23-24(14)19)12-7-3-2-4-8-12/h2-10,14H,11H2,1H3,(H,20,26)(H,21,22,23,25)/t14-/m1/s1
InChIKeyVYPVMHLHWXUHTL-CQSZACIVSA-N
MW363.38 g/mol
LogP2.48
Rot. Bonds4

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

(7R)-N-(2-methoxyphenyl)-5-oxo-2-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide (PubChem CID 135830439) has the molecular formula C19H17N5O3 and a molecular weight of 363.38 g/mol. Its IUPAC name is (7R)-N-(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-(2-methoxyphenyl)-5-oxo-2-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
PubChem CID135830439
Molecular FormulaC19H17N5O3
Molecular Weight363.38 g/mol
Exact Mass363.13
IUPAC Name(7R)-N-(2-methoxyphenyl)-5-oxo-2-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCOc1ccccc1NC(=O)[C@H]1CC(=O)Nc2nc(-c3ccccc3)nn21
InChIInChI=1S/C19H17N5O3/c1-27-15-10-6-5-9-13(15)20-18(26)14-11-16(25)21-19-22-17(23-24(14)19)12-7-3-2-4-8-12/h2-10,14H,11H2,1H3,(H,20,26)(H,21,22,23,25)/t14-/m1/s1
InChIKeyVYPVMHLHWXUHTL-CQSZACIVSA-N
XLogP2.48
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(7R)-N-(2-methoxyphenyl)-2-(4-methylphenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 135881632
(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
(7S)-N-(2-fluorophenyl)-5-oxo-2-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 135830412
N-(2-methoxyphenyl)-5-oxo-2-(trifluoromethyl)-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 4904884
N-(2,5-dimethylphenyl)-5-oxo-2-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 4911953
N-(2-methoxyphenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 2981207
(7R)-N-(3-methoxyphenyl)-2-(4-methoxyphenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 135938263
(7S)-5-oxo-2-phenyl-N-(4-propan-2-ylphenyl)-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 135938240
N-(4-ethylphenyl)-5-oxo-2-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 4975049
(7S)-N-(2-methoxyphenyl)-2-methyl-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 135901618
N-(2,4-dimethylphenyl)-2-(4-methoxyphenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 4976443
(7R)-N-(2-ethoxyphenyl)-2-methyl-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 135783441

Frequently Asked Questions

What is the IUPAC name of (7R)-N-(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-(2-methoxyphenyl)-5-oxo-2-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide (CID 135830439) is (7R)-N-(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-(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-(2-methoxyphenyl)-5-oxo-2-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide is COc1ccccc1NC(=O)[C@H]1CC(=O)Nc2nc(-c3ccccc3)nn21.
What is the InChIKey of (7R)-N-(2-methoxyphenyl)-5-oxo-2-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide?
The InChIKey is VYPVMHLHWXUHTL-CQSZACIVSA-N. The full InChI is InChI=1S/C19H17N5O3/c1-27-15-10-6-5-9-13(15)20-18(26)14-11-16(25)21-19-22-17(23-24(14)19)12-7-3-2-4-8-12/h2-10,14H,11H2,1H3,(H,20,26)(H,21,22,23,25)/t14-/m1/s1.
What are the key properties of (7R)-N-(2-methoxyphenyl)-5-oxo-2-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide?
(7R)-N-(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 363.38 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-N-(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 135830439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).