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DS-1205b free base 5mg

CAT: 0628-A22138-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0628-A22138-5Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1855860-24-0

Chemical Information

(R)-N-(4-(5-(4-((1,4-Dioxan-2-yl)methoxy)-3-methoxyphenyl)-2-aminopyridin-3-yl)-3-fluorophenyl)-5-methyl-4'-oxo-1'-((tetrahydro-2H-pyran-4-yl)methyl)-1',4'-dihydro-[2,3'-bipyridine]-5'-carboxamide
CAS Number1855860-24-0
PubChem CID129110632
IUPAC NameN-[4-[2-amino-5-[4-[[(2R)-1,4-dioxan-2-yl]methoxy]-3-methoxyphenyl]-3-pyridinyl]-3-fluorophenyl]-5-(5-methyl-2-pyridinyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide
Molecular FormulaC41H42FN5O7
Molecular Weight735.8
XLogP4.3
Topological Polar Surface Area147
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count12
Rotatable Bond Count11
Heavy Atom Count54
Formal Charge0
Complexity1330
SMILES
CC1=CN=C(C=C1)C2=CN(C=C(C2=O)C(=O)NC3=CC(=C(C=C3)C4=C(N=CC(=C4)C5=CC(=C(C=C5)OC[C@H]6COCCO6)OC)N)F)CC7CCOCC7
InChI
InChI=1S/C41H42FN5O7/c1-25-3-7-36(44-18-25)33-21-47(20-26-9-11-51-12-10-26)22-34(39(33)48)41(49)46-29-5-6-31(35(42)17-29)32-15-28(19-45-40(32)43)27-4-8-37(38(16-27)50-2)54-24-30-23-52-13-14-53-30/h3-8,15-19,21-22,26,30H,9-14,20,23-24H2,1-2H3,(H2,43,45)(H,46,49)/t30-/m1/s1
InChIKey
ZOEILZXFYPPMTR-SSEXGKCCSA-N
Chemical Structure
2D Structure
2D structure of (R)-N-(4-(5-(4-((1,4-Dioxan-2-yl)methoxy)-3-methoxyphenyl)-2-aminopyridin-3-yl)-3-fluorophenyl)-5-methyl-4'-oxo-1'-((tetrahydro-2H-pyran-4-yl)methyl)-1',4'-dihydro-[2,3'-bipyridine]-5'-carboxamide
CAS: 1855860-24-0
CID: 129110632
Formula: C41H42FN5O7
MW: 735.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight735.8
XLogP34.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count12
Rotatable Bond Count11
Exact Mass735.30682686
Monoisotopic Mass735.30682686
Topological Polar Surface Area147 Ų
Heavy Atom Count54
Formal Charge0
Complexity1330
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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