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GENZ-882706 5mg

CAT: 0628-A12484-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0628-A12484-5Size:5 mg
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CAS Number
2070864-35-4

Chemical Information

(s)-4-(3-((2-(6-Methoxypyridin-3-yl)-2,3-dihydrobenzo[b][1,4]dioxin-6-yl)methyl)-3h-imidazo[4,5-b]pyridin-6-yl)-2-methylbut-3-yn-2-amine
CAS Number2070864-35-4
PubChem CID126484197
IUPAC Name4-[3-[[(2S)-2-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methyl]imidazo[4,5-b]pyridin-6-yl]-2-methylbut-3-yn-2-amine
Molecular FormulaC26H25N5O3
Molecular Weight455.5
XLogP2.6
Topological Polar Surface Area97.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count34
Formal Charge0
Complexity766
SMILES
CC(C)(C#CC1=CC2=C(N=C1)N(C=N2)CC3=CC4=C(C=C3)O[C@H](CO4)C5=CN=C(C=C5)OC)N
InChI
InChI=1S/C26H25N5O3/c1-26(2,27)9-8-17-10-20-25(29-12-17)31(16-30-20)14-18-4-6-21-22(11-18)33-15-23(34-21)19-5-7-24(32-3)28-13-19/h4-7,10-13,16,23H,14-15,27H2,1-3H3/t23-/m1/s1
InChIKey
DRBFONOVLOXKJM-HSZRJFAPSA-N
Chemical Structure
2D Structure
2D structure of (s)-4-(3-((2-(6-Methoxypyridin-3-yl)-2,3-dihydrobenzo[b][1,4]dioxin-6-yl)methyl)-3h-imidazo[4,5-b]pyridin-6-yl)-2-methylbut-3-yn-2-amine
CAS: 2070864-35-4
CID: 126484197
Formula: C26H25N5O3
MW: 455.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight455.5
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass455.19573968
Monoisotopic Mass455.19573968
Topological Polar Surface Area97.3 Ų
Heavy Atom Count34
Formal Charge0
Complexity766
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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