Molecules/(S)-1'-(6-((2-Amino-3-chloropyridin-4-yl)thio)-1,2,4-triazin-3-yl)-1,3-dihydrospiro[indene-2,4'-piperidin]-1-amine
(S)-1'-(6-((2-Amino-3-chloropyridin-4-yl)thio)-1,2,4-triazin-3-yl)-1,3-dihydrospiro[indene-2,4'-piperidin]-1-amine
(1S)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-1,2,4-triazin-3-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
Molecular Identity
(S)-1'-(6-((2-Amino-3-chloropyridin-4-yl)thio)-1,2,4-triazin-3-yl)-1,3-dihydrospiro[indene-2,4'-piperidin]-1-amine
(1S)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-1,2,4-triazin-3-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
PubChem CID: 155164064
2D Structure
Properties
C21H22ClN7S
Molecular Formula
440.00
Molecular Weight
g/mol
439.1346
Exact Mass
Da
2.5
XLogP
Drug-like (Lipinski: < 5)
132
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
8
H-Bond Acceptors
590
Complexity
SMILES
Canonical SMILES
SMILES: C1CN(CCC12CC3=CC=CC=C3C2N)C4=NC=C(N=N4)SC5=C(C(=NC=C5)N)ClIsomeric SMILES
SMILES: C1CN(CCC12CC3=CC=CC=C3[C@H]2N)C4=NC=C(N=N4)SC5=C(C(=NC=C5)N)ClSynonyms(20)
PF-072848922498597-94-5ARRY-558(S)-1'-(6-((2-Amino-3-chloropyridin-4-yl)thio)-1,2,4-triazin-3-yl)-1,3-dihydrospiro[indene-2,4'-piperidin]-1-amineA1AQ1ARRY558orb1944335CHEMBL5543051SCHEMBL22493594SCHEMBL29984407K3M925R42MEX-A8039NSC854801NSC-854801PF-07284892 [WHO-DD]
Data from PubChem (NCBI)
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Molecular Structure
(S)-1'-(6-((2-Amino-3-chloropyridin-4-yl)thio)-1,2,4-triazin-3-yl)-1,3-dihydrospiro[indene-2,4'-piperidin]-1-amine
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Drug Network
Trials and conditions connected to (S)-1'-(6-((2-Amino-3-chloropyridin-4-yl)thio)-1,2,4-triazin-3-yl)-1,3-dihydrospiro[indene-2,4'-piperidin]-1-amine
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