B4P2B52Y6S
N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide
Molecular Identity
B4P2B52Y6S
N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID: 138634367
2D Structure
Properties
C21H21F3N4O2
Molecular Formula
418.40
Molecular Weight
g/mol
418.1617
Exact Mass
Da
3.2
XLogP
Drug-like (Lipinski: < 5)
69.9
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
7
H-Bond Acceptors
605
Complexity
SMILES
Canonical SMILES
SMILES: C1CN(CC2=CC=CC=C21)CC(CNC(=O)C3=CN4C=C(C=CC4=N3)C(F)(F)F)OIsomeric SMILES
SMILES: C1CN(CC2=CC=CC=C21)C[C@H](CNC(=O)C3=CN4C=C(C=CC4=N3)C(F)(F)F)OSynonyms(8)
B4P2B52Y6SSCHEMBL21001503JBI-778BBWOALSAXDLCTK-KRWDZBQOSA-N2334452-88-7Imidazo[1,2-a]pyridine-2-carboxamide, N-[(2S)-3-(3,4-dihydro-2(1H)-isoquinolinyl)-2-hydroxypropyl]-6-(trifluoromethyl)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamideN-[(2S)-3-(3,4-Dihydro-2(1H)-isoquinolinyl)-2-hydroxypropyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide
Data from PubChem (NCBI)
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