Ine-963
4-(aminomethyl)-1-[5-(2-methoxy-6-propan-2-yl-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-ol
Molecular Identity
Ine-963
4-(aminomethyl)-1-[5-(2-methoxy-6-propan-2-yl-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-ol
PubChem CID: 156274257
2D Structure
Properties
C19H26N6O2S
Molecular Formula
402.50
Molecular Weight
g/mol
402.1838
Exact Mass
Da
2.1
XLogP
Drug-like (Lipinski: < 5)
130
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
8
H-Bond Acceptors
533
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)C1=NC(=C(C=C1)C2=CN=C3N2N=C(S3)N4CCC(CC4)(CN)O)OCIsomeric SMILES
SMILES: CC(C)C1=NC(=C(C=C1)C2=CN=C3N2N=C(S3)N4CCC(CC4)(CN)O)OCSynonyms(20)
INE9632640567-43-5INE-9634HRQ96CC7C4-(aminomethyl)-1-(5-(2-methoxy-6-(propan-2-yl)pyridin-3-yl)imidazo(2,1-b)(1,3,4)thiadiazol-2-yl)piperidin-4-ol4-(aminomethyl)-1-{5-[2-methoxy-6-(propan-2-yl)pyridin-3-yl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl}piperidin-4-olRefChem:923431NVP-INE9634-(aminomethyl)-1-(5-(6-isopropyl-2-methoxypyridin-3-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-4-olA1IRIorb1297907CHEMBL5173264SCHEMBL23244954GTPL11929INE963?
Data from PubChem (NCBI)
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