Molecules/4-{3-[({2-Amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-3-yl}oxy)methyl]phenyl}-2-methylbut-3-yn-2-ol
4-{3-[({2-Amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-3-yl}oxy)methyl]phenyl}-2-methylbut-3-yn-2-ol
4-[3-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]phenyl]-2-methylbut-3-yn-2-ol
Molecular Identity
4-{3-[({2-Amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-3-yl}oxy)methyl]phenyl}-2-methylbut-3-yn-2-ol
4-[3-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]phenyl]-2-methylbut-3-yn-2-ol
PubChem CID: 155905549
2D Structure
Properties
C26H30N4O2S
Molecular Formula
462.60
Molecular Weight
g/mol
462.2089
Exact Mass
Da
3.4
XLogP
Drug-like (Lipinski: < 5)
113
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
7
H-Bond Acceptors
699
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)(C#CC1=CC=CC(=C1)COC2=C(N=CC(=C2)C3=CN=C(S3)C4CCN(CC4)C)N)OIsomeric SMILES
SMILES: CC(C)(C#CC1=CC=CC(=C1)COC2=C(N=CC(=C2)C3=CN=C(S3)C4CCN(CC4)C)N)OSynonyms(20)
2380300-79-64-{3-[({2-Amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-3-yl}oxy)methyl]phenyl}-2-methylbut-3-yn-2-ol4-(3-(((2-amino-5-(2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl)pyridin-3-yl)oxy)methyl)phenyl)-2-methylbut-3-yn-2-olRefChem:512920893-752-14-(3-(((2-Amino-5-(2-(1-methylpiperidin-4-yl)thiazol-5-yl)pyridin-3-yl)oxy)methyl)phenyl)-2-methylbut-3-yn-2-olZYF0033FimsosertibHPK1-IN-22CHEMBL51747164-[3-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]phenyl]-2-methylbut-3-yn-2-ol4-[3-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-3-yl]oxymethyl]phenyl]-2-methylbut-3-yn-2-olfimsosertib [INN]starbld00012712QQC2N58A6
Data from PubChem (NCBI)
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Molecular Structure
4-{3-[({2-Amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-3-yl}oxy)methyl]phenyl}-2-methylbut-3-yn-2-ol
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Drug Network
Trials and conditions connected to 4-{3-[({2-Amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-3-yl}oxy)methyl]phenyl}-2-methylbut-3-yn-2-ol
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