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RIDR-PI-103

CAT: 0607-BA6235-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0607-BA6235-5Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2581114-71-6
Form
A solid
Molecular Formula
C27H25N7O4
Molecular Weight
511.53
Shipping Conditions
Blue ice
Storage Conditions
4°C, desiccated and protect from light.

Chemical Information

Ridr-PI-103
CAS Number2581114-71-6
PubChem CID163196423
IUPAC Name2-amino-N-[5-amino-2-[3-(6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)phenoxy]phenyl]acetamide
Molecular FormulaC27H25N7O4
Molecular Weight511.5
XLogP2.2
Topological Polar Surface Area155
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Heavy Atom Count38
Formal Charge0
Complexity801
SMILES
C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)OC6=C(C=C(C=C6)N)NC(=O)CN
InChI
InChI=1S/C27H25N7O4/c28-15-22(35)31-20-14-17(29)6-7-21(20)37-18-4-1-3-16(13-18)25-32-23-19-5-2-8-30-27(19)38-24(23)26(33-25)34-9-11-36-12-10-34/h1-8,13-14H,9-12,15,28-29H2,(H,31,35)
InChIKey
MTALGWVUOBSKIC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ridr-PI-103
CAS: 2581114-71-6
CID: 163196423
Formula: C27H25N7O4
MW: 511.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight511.5
XLogP32.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Exact Mass511.19680230
Monoisotopic Mass511.19680230
Topological Polar Surface Area155 Ų
Heavy Atom Count38
Formal Charge0
Complexity801
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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