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GDC-0575 dihydrochloride

CAT: 0926-HRC01442-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0926-HRC01442-01Size:25 mg
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CAS Number
1657014-42-0
MDL Number
MFCD31692377
Smiles
C1CC (CN (C1) C2=C (C=CC3=C2C (=CN3) NC (=O) C4CC4) Br) N.Cl.Cl
Molecular Formula
C17H23BrCl2N4O
Molecular Weight
450.2 g/mol
Controlled
No

Chemical Information

GDC-0575 dihydrochloride
CAS Number1657014-42-0
PubChem CID131749450
IUPAC NameN-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide;dihydrochloride
Molecular FormulaC16H22BrCl2N5O
Molecular Weight451.2
Topological Polar Surface Area87
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count25
Formal Charge0
Complexity460
SMILES
C1C[C@H](CN(C1)C2=C3C(=CNC3=NC=C2Br)NC(=O)C4CC4)N.Cl.Cl
InChI
InChI=1S/C16H20BrN5O.2ClH/c17-11-6-19-15-13(14(11)22-5-1-2-10(18)8-22)12(7-20-15)21-16(23)9-3-4-9;;/h6-7,9-10H,1-5,8,18H2,(H,19,20)(H,21,23);2*1H/t10-;;/m1../s1
InChIKey
OYMHZTORKRPOBI-YQFADDPSSA-N
Chemical Structure
2D Structure
2D structure of GDC-0575 dihydrochloride
CAS: 1657014-42-0
CID: 131749450
Formula: C16H22BrCl2N5O
MW: 451.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight451.2
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass449.03848
Monoisotopic Mass449.03848
Topological Polar Surface Area87 Ų
Heavy Atom Count25
Formal Charge0
Complexity460
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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