(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

C18H15ClN6O2 — CID 136713237

IUPAC(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
SMILESCc1c(Cl)cccc1NC(=O)[C@@H]1CC(=O)Nc2nc(-c3cccnc3)nn21
InChIInChI=1S/C18H15ClN6O2/c1-10-12(19)5-2-6-13(10)21-17(27)14-8-15(26)22-18-23-16(24-25(14)18)11-4-3-7-20-9-11/h2-7,9,14H,8H2,1H3,(H,21,27)(H,22,23,24,26)/t14-/m0/s1
InChIKeyOLFKEEJPXGEMBS-AWEZNQCLSA-N
MW382.81 g/mol
LogP2.82
Rot. Bonds3

About (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

(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 (PubChem CID 136713237) has the molecular formula C18H15ClN6O2 and a molecular weight of 382.81 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID136713237
Molecular FormulaC18H15ClN6O2
Molecular Weight382.81 g/mol
Exact Mass382.09
IUPAC Name(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
SMILESCc1c(Cl)cccc1NC(=O)[C@@H]1CC(=O)Nc2nc(-c3cccnc3)nn21
InChIInChI=1S/C18H15ClN6O2/c1-10-12(19)5-2-6-13(10)21-17(27)14-8-15(26)22-18-23-16(24-25(14)18)11-4-3-7-20-9-11/h2-7,9,14H,8H2,1H3,(H,21,27)(H,22,23,24,26)/t14-/m0/s1
InChIKeyOLFKEEJPXGEMBS-AWEZNQCLSA-N
XLogP2.82
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.81
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (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 with MolForge

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Related Compounds

(7S)-N-(3-chloro-2-methylphenyl)-2-methyl-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 135849052
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
5-oxo-2-pyridin-3-yl-N-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 4871045
(7R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-2-pyridin-3-yl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 136713252
(7S)-N-(2-fluorophenyl)-5-oxo-2-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 135830412
(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-(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-(4-chlorophenyl)-2-(4-methylphenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 135881630
(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)-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
(7R)-2-methyl-N-(2-methylphenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 135783474

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cc1c(Cl)cccc1NC(=O)[C@@H]1CC(=O)Nc2nc(-c3cccnc3)nn21.
What is the InChIKey of (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?
The InChIKey is OLFKEEJPXGEMBS-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H15ClN6O2/c1-10-12(19)5-2-6-13(10)21-17(27)14-8-15(26)22-18-23-16(24-25(14)18)11-4-3-7-20-9-11/h2-7,9,14H,8H2,1H3,(H,21,27)(H,22,23,24,26)/t14-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 382.81 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 136713237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).