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

C18H14FN5O2 — CID 135830412

IUPAC(7S)-N-(2-fluorophenyl)-5-oxo-2-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
SMILESO=C1C[C@@H](C(=O)Nc2ccccc2F)n2nc(-c3ccccc3)nc2N1
InChIInChI=1S/C18H14FN5O2/c19-12-8-4-5-9-13(12)20-17(26)14-10-15(25)21-18-22-16(23-24(14)18)11-6-2-1-3-7-11/h1-9,14H,10H2,(H,20,26)(H,21,22,23,25)/t14-/m0/s1
InChIKeyZFHXPKXQCGOJLY-AWEZNQCLSA-N
MW351.34 g/mol
LogP2.61
Rot. Bonds3

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

(7S)-N-(2-fluorophenyl)-5-oxo-2-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide (PubChem CID 135830412) has the molecular formula C18H14FN5O2 and a molecular weight of 351.34 g/mol. Its IUPAC name is (7S)-N-(2-fluorophenyl)-5-oxo-2-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name(7S)-N-(2-fluorophenyl)-5-oxo-2-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
PubChem CID135830412
Molecular FormulaC18H14FN5O2
Molecular Weight351.34 g/mol
Exact Mass351.11
IUPAC Name(7S)-N-(2-fluorophenyl)-5-oxo-2-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
SMILESO=C1C[C@@H](C(=O)Nc2ccccc2F)n2nc(-c3ccccc3)nc2N1
InChIInChI=1S/C18H14FN5O2/c19-12-8-4-5-9-13(12)20-17(26)14-10-15(25)21-18-22-16(23-24(14)18)11-6-2-1-3-7-11/h1-9,14H,10H2,(H,20,26)(H,21,22,23,25)/t14-/m0/s1
InChIKeyZFHXPKXQCGOJLY-AWEZNQCLSA-N
XLogP2.61
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.34
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(7R)-N-(2-methoxyphenyl)-5-oxo-2-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 135830439
N-(2,5-dimethylphenyl)-5-oxo-2-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 4911953
(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
(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
(7S)-N-(2-fluorophenyl)-5-oxo-2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 135902628
(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
5-oxo-2-pyridin-3-yl-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 4908463
N-(2-fluorophenyl)-7-oxo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidine-5-carboxamide
CID 135658700
(7R)-N-(4-chlorophenyl)-2-(4-methylphenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 135881630
(7R)-2-methyl-N-(2-methylphenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 135783474
(7S)-N-(3-chloro-2-methylphenyl)-5-oxo-2-pyridin-3-yl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 136713237
N-(4-acetylphenyl)-2-(4-methylphenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 4901479

Frequently Asked Questions

What is the IUPAC name of (7S)-N-(2-fluorophenyl)-5-oxo-2-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide?
The IUPAC name of (7S)-N-(2-fluorophenyl)-5-oxo-2-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide (CID 135830412) is (7S)-N-(2-fluorophenyl)-5-oxo-2-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide.
What is the SMILES notation for (7S)-N-(2-fluorophenyl)-5-oxo-2-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide?
The canonical SMILES for (7S)-N-(2-fluorophenyl)-5-oxo-2-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide is O=C1C[C@@H](C(=O)Nc2ccccc2F)n2nc(-c3ccccc3)nc2N1.
What is the InChIKey of (7S)-N-(2-fluorophenyl)-5-oxo-2-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide?
The InChIKey is ZFHXPKXQCGOJLY-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H14FN5O2/c19-12-8-4-5-9-13(12)20-17(26)14-10-15(25)21-18-22-16(23-24(14)18)11-6-2-1-3-7-11/h1-9,14H,10H2,(H,20,26)(H,21,22,23,25)/t14-/m0/s1.
What are the key properties of (7S)-N-(2-fluorophenyl)-5-oxo-2-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide?
(7S)-N-(2-fluorophenyl)-5-oxo-2-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide has a molecular weight of 351.34 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-N-(2-fluorophenyl)-5-oxo-2-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 135830412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).