AHR antagonist 5 free base
(3R)-N-[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine
Molecular Identity
AHR antagonist 5 free base
(3R)-N-[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine
PubChem CID: 140944699
2D Structure
Properties
C25H24FN7
Molecular Formula
441.50
Molecular Weight
g/mol
441.2077
Exact Mass
Da
4.8
XLogP
Drug-like (Lipinski: < 5)
83.8
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
6
H-Bond Acceptors
679
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)C1=C2N=C(N=C(N2N=C1)NC3CCC4=C(C3)C5=CC=CC=C5N4)C6=CC(=CN=C6)FIsomeric SMILES
SMILES: CC(C)C1=C2N=C(N=C(N2N=C1)N[C@@H]3CCC4=C(C3)C5=CC=CC=C5N4)C6=CC(=CN=C6)FSynonyms(20)
AHR antagonist 5 free base2247950-42-9IK-175AHR antagonist 5 (free base)(R)-N-(2-(5-Fluoropyridin-3-yl)-8-isopropylpyrazolo[1,5-a][1,3,5]triazin-4-yl)-2,3,4,9-tetrahydro-1H-carbazol-3-amineCHEMBL5280174orb1691076CHEMBL5315868SCHEMBL21754259SCHEMBL29567248BDBM50612696EX-A14123IK-775AKOS040757478AT37985
Data from PubChem (NCBI)
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Trials and conditions connected to AHR antagonist 5 free base
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