Molecules/(3S)-2-[(5-amino-6-fluoro-1H-pyrrolo[3,2-b]pyridin-2-yl)methyl]-1'-but-2-ynyl-6-fluoro-spiro[isoindoline-3,3'-pyrrolidine]-1,2'-dione
(3S)-2-[(5-amino-6-fluoro-1H-pyrrolo[3,2-b]pyridin-2-yl)methyl]-1'-but-2-ynyl-6-fluoro-spiro[isoindoline-3,3'-pyrrolidine]-1,2'-dione
(3S)-2-[(5-amino-6-fluoro-1H-pyrrolo[3,2-b]pyridin-2-yl)methyl]-1'-but-2-ynyl-6-fluorospiro[isoindole-3,3'-pyrrolidine]-1,2'-dione
Molecular Identity
(3S)-2-[(5-amino-6-fluoro-1H-pyrrolo[3,2-b]pyridin-2-yl)methyl]-1'-but-2-ynyl-6-fluoro-spiro[isoindoline-3,3'-pyrrolidine]-1,2'-dione
(3S)-2-[(5-amino-6-fluoro-1H-pyrrolo[3,2-b]pyridin-2-yl)methyl]-1'-but-2-ynyl-6-fluorospiro[isoindole-3,3'-pyrrolidine]-1,2'-dione
PubChem CID: 167507156
2D Structure
Properties
C23H19F2N5O2
Molecular Formula
435.40
Molecular Weight
g/mol
435.1507
Exact Mass
Da
1.8
XLogP
Drug-like (Lipinski: < 5)
95.3
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
6
H-Bond Acceptors
858
Complexity
SMILES
Canonical SMILES
SMILES: CC#CCN1CCC2(C1=O)C3=C(C=C(C=C3)F)C(=O)N2CC4=CC5=NC(=C(C=C5N4)F)NIsomeric SMILES
SMILES: CC#CCN1CC[C@@]2(C1=O)C3=C(C=C(C=C3)F)C(=O)N2CC4=CC5=NC(=C(C=C5N4)F)NSynonyms(7)
2918814-97-6A1JTISCHEMBL26620068SCHEMBL30296747AZD3470EX-A12674(3S)-2-[(5-amino-6-fluoro-1H-pyrrolo[3,2-b]pyridin-2-yl)methyl]-1'-but-2-ynyl-6-fluoro-spiro[isoindoline-3,3'-pyrrolidine]-1,2'-dione
Data from PubChem (NCBI)
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Molecular Structure
(3S)-2-[(5-amino-6-fluoro-1H-pyrrolo[3,2-b]pyridin-2-yl)methyl]-1'-but-2-ynyl-6-fluoro-spiro[isoindoline-3,3'-pyrrolidine]-1,2'-dione
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Drug Network
Trials and conditions connected to (3S)-2-[(5-amino-6-fluoro-1H-pyrrolo[3,2-b]pyridin-2-yl)methyl]-1'-but-2-ynyl-6-fluoro-spiro[isoindoline-3,3'-pyrrolidine]-1,2'-dione
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