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RGT-018 5mg

CAT: 0628-A24227-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0628-A24227-5Size:5 mg
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CAS Number
2794934-49-7

Chemical Information

CID 170778854
CAS Number2794934-49-7
PubChem CID170778854
IUPAC Name5-[4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-2-methyl-6-morpholin-4-yl-7-oxopyrido[4,3-d]pyrimidin-8-yl]pyridine-2-carbonitrile
Molecular FormulaC27H24F3N7O2
Molecular Weight535.5
XLogP1.8
Topological Polar Surface Area106
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Heavy Atom Count39
Formal Charge0
Complexity1140
SMILES
CC1=NC2=C(C(=O)N(C=C2C(=N1)N[C@H](C)C3=C(C(=CC=C3)C(F)F)F)N4CCOCC4)C5=CN=C(C=C5)C#N
InChI
InChI=1S/C27H24F3N7O2/c1-15(19-4-3-5-20(23(19)28)25(29)30)33-26-21-14-37(36-8-10-39-11-9-36)27(38)22(24(21)34-16(2)35-26)17-6-7-18(12-31)32-13-17/h3-7,13-15,25H,8-11H2,1-2H3,(H,33,34,35)/t15-/m1/s1
InChIKey
HRMKBFIINYRRDO-OAHLLOKOSA-N
Chemical Structure
2D Structure
2D structure of CID 170778854
CAS: 2794934-49-7
CID: 170778854
Formula: C27H24F3N7O2
MW: 535.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight535.5
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass535.19435752
Monoisotopic Mass535.19435752
Topological Polar Surface Area106 Ų
Heavy Atom Count39
Formal Charge0
Complexity1140
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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