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RIPK3-IN-1

CAT: 0607-BA3503-1Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0607-BA3503-1Size:1 mg
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CAS Number
2361139-70-8
Form
A solid
Molecular Formula
C29H25FN4O4
Molecular Weight
512.53
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Ripk3-IN-1
CAS Number2361139-70-8
PubChem CID138393291
IUPAC NameN-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-2,3-dimethylphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
Molecular FormulaC29H25FN4O4
Molecular Weight512.5
XLogP4.2
Topological Polar Surface Area101
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count38
Formal Charge0
Complexity958
SMILES
CC1=C(C=CC(=C1C)OC2=CC(=NC=C2)NC(=O)C3CC3)NC(=O)C4=CC=CN(C4=O)C5=CC=C(C=C5)F
InChI
InChI=1S/C29H25FN4O4/c1-17-18(2)25(38-22-13-14-31-26(16-22)33-27(35)19-5-6-19)12-11-24(17)32-28(36)23-4-3-15-34(29(23)37)21-9-7-20(30)8-10-21/h3-4,7-16,19H,5-6H2,1-2H3,(H,32,36)(H,31,33,35)
InChIKey
PETCZXAONWLUFT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ripk3-IN-1
CAS: 2361139-70-8
CID: 138393291
Formula: C29H25FN4O4
MW: 512.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight512.5
XLogP34.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass512.18598345
Monoisotopic Mass512.18598345
Topological Polar Surface Area101 Ų
Heavy Atom Count38
Formal Charge0
Complexity958
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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