2,5-Dimethyl-N-{3-[(4-oxo-3,4,5,6,7,8-hexahydrophthalazin-1-yl)methyl]phenyl}-1H-pyrrole-3-carboxamide

HCID 69090608

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Basic information

CAS: 1036396-37-8
Standard SMILES: Cc1cc(C(=O)Nc2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)c(C)[nH]1
InChIKey: NLLHOQKYRFPUBL-UHFFFAOYSA-N
Molecular formula: C22H24N4O2
Average molar mass: 376.5 g/mol
Monoisotopic mass: 376.18992602

Names & identifiers

Preferred name: 2,5-Dimethyl-N-{3-[(4-oxo-3,4,5,6,7,8-hexahydrophthalazin-1-yl)methyl]phenyl}-1H-pyrrole-3-carboxamide
IUPAC: 2,5-dimethyl-N-[3-[(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)methyl]phenyl]-1H-pyrrole-3-carboxamide

Names & synonyms

SCHEMBL4555724CHEMBL3955369DTXSID6011122561036396-37-82,5-Dimethyl-N-{3-[(4-oxo-3,4,5,6,7,8-hexahydrophthalazin-1-yl)methyl]phenyl}-1H-pyrrole-3-carboxamideN-[3-[(3,4,5,6,7,8-Hexahydro-4-oxo-1-phthalazinyl)methyl]phenyl]-2,5-dimethyl-1H-pyrrole-3-carboxamide

Database identifiers

CAS: 1036396-37-8
PubChem CID: 69090608
DTXSID: DTXSID601112256
ChEMBL: CHEMBL3955369

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 86.4 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 28
Formal charge: 0
Complexity: 699

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