Atuliflapon
trans-(1R,2R)-2-[4-(5-methyl-1H-pyrazol-3-yl)benzoyl]-N-(4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-3-yl)cyclohexane-1-carboxamide
Molecular Identity
Atuliflapon
trans-(1R,2R)-2-[4-(5-methyl-1H-pyrazol-3-yl)benzoyl]-N-(4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-3-yl)cyclohexane-1-carboxamide
PubChem CID: 122678117
2D Structure
Properties
C24H26N6O3
Molecular Formula
446.50
Molecular Weight
g/mol
446.2066
Exact Mass
Da
2.5
XLogP
Drug-like (Lipinski: < 5)
122
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
5
H-Bond Acceptors
754
Complexity
SMILES
Canonical SMILES
SMILES: CC1=CC(=NN1)C2=CC=C(C=C2)C(=O)C3CCCCC3C(=O)NC4=C5C(=O)NCCN5N=C4Isomeric SMILES
SMILES: CC1=CC(=NN1)C2=CC=C(C=C2)C(=O)[C@@H]3CCCC[C@H]3C(=O)NC4=C5C(=O)NCCN5N=C4Synonyms(20)
Atuliflapon2041075-86-7AZD5718AZD-5718NV6352Y6TV(1R,2R)-2-[4-(5-methyl-1H-pyrazol-3-yl)benzoyl]-N-(4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-3-yl)cyclohexane-1-carboxamide(1R,2R)-2-(4-(5-methyl-1H-pyrazol-3-yl)benzoyl)-N-(4-oxo-6,7-dihydro-5H-pyrazolo(1,5-a)pyrazin-3-yl)cyclohexane-1-carboxamideRefChem:115540Atuliflapon [INN]UNII-NV6352Y6TVCHEMBL4542281ATULIFLAPON (AZD5718)AZD 5718 [WHO-DD](1R,2R)-2-(4-(5-Methyl-1H-pyrazol-3-yl)benzoyl)-N-(4-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)cyclohexane-1-carboxamide(1R,2R)-2-(4-(3-Methyl-1H-pyrazol-5-yl)benzoyl)-N-(4-oxo-6,7-dihydro-5H-pyrazolo(1,5-a)pyrazine-3-yl)cyclohexanecarboxamide
Data from PubChem (NCBI)
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