Molecules/4-((R)-1-Aminopropyl)-2-(6-((S)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)pyridin-2-yl)-6-((R)-2-methylpyrrolidin-1-yl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-1-one
4-((R)-1-Aminopropyl)-2-(6-((S)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)pyridin-2-yl)-6-((R)-2-methylpyrrolidin-1-yl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-1-one
4-[(1R)-1-aminopropyl]-2-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-6-[(2R)-2-methylpyrrolidin-1-yl]-3H-pyrrolo[3,4-c]pyridin-1-one
Molecular Identity
4-((R)-1-Aminopropyl)-2-(6-((S)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)pyridin-2-yl)-6-((R)-2-methylpyrrolidin-1-yl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-1-one
4-[(1R)-1-aminopropyl]-2-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-6-[(2R)-2-methylpyrrolidin-1-yl]-3H-pyrrolo[3,4-c]pyridin-1-one
PubChem CID: 163557606
2D Structure
Properties
C26H32N8O
Molecular Formula
472.60
Molecular Weight
g/mol
472.2699
Exact Mass
Da
1.9
XLogP
Drug-like (Lipinski: < 5)
106
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
7
H-Bond Acceptors
782
Complexity
SMILES
Canonical SMILES
SMILES: CCC(C1=C2CN(C(=O)C2=CC(=N1)N3CCCC3C)C4=CC=CC(=N4)C5=NN=C6N5C(CC6)C)NIsomeric SMILES
SMILES: CC[C@H](C1=C2CN(C(=O)C2=CC(=N1)N3CCC[C@H]3C)C4=CC=CC(=N4)C5=NN=C6N5[C@H](CC6)C)NSynonyms(15)
2736458-30-14-((R)-1-Aminopropyl)-2-(6-((S)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)pyridin-2-yl)-6-((R)-2-methylpyrrolidin-1-yl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-1-onePF-07265028orb2815364CHEMBL5860476SCHEMBL23987830SCHEMBL30227711US11684616, Example 1BDBM606098EX-A12321HY-170443H81786T2023431H-Pyrrolo[3,4-c]pyridin-1-one, 4-[(1R)-1-aminopropyl]-2-[6-[(5S)-6,7-dihydro-5-methyl-5H-pyrrolo[2,1-c]-1,2,4-triazol-3-yl]-2-pyridinyl]-2,3-dihydro-6-[(2R)-2-methyl-1-pyrrolidinyl]-4-[(1R)-1-aminopropyl]-2-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridyl]-6-[(2R)-2-methylpyrrolidin-1-yl]-3H-pyrrolo[3,4-c]pyridin-1-one
Data from PubChem (NCBI)
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Molecular Structure
4-((R)-1-Aminopropyl)-2-(6-((S)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)pyridin-2-yl)-6-((R)-2-methylpyrrolidin-1-yl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-1-one
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Drug Network
Trials and conditions connected to 4-((R)-1-Aminopropyl)-2-(6-((S)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)pyridin-2-yl)-6-((R)-2-methylpyrrolidin-1-yl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-1-one
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