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I-37

CAT: 0013-GTR19156878-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19156878-01Size:200 mg
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Description
I-37 is a novel benzylamino substituted pyridopyrimidinone as SOS1 inhibitor.
CAS Number
2359690-13-2
Product Name Alternative
Pyrido[4,3-d]pyrimidin-7 (6H) -one, 2-methyl-6- (1-methylcyclopropyl) -4-[[ (1R) -1-[2-methyl-3- (trifluoromethyl) phenyl]ethyl]amino]-
Purity
>98% (HPLC)
Molecular Formula
C22H23F3N4O
Molecular Weight
416.45
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

US10829487, Example I-37
CAS Number2359690-13-2
PubChem CID138751102
IUPAC Name2-methyl-6-(1-methylcyclopropyl)-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[4,3-d]pyrimidin-7-one
Molecular FormulaC22H23F3N4O
Molecular Weight416.4
XLogP2.6
Topological Polar Surface Area57.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count30
Formal Charge0
Complexity866
SMILES
CC1=C(C=CC=C1C(F)(F)F)[C@@H](C)NC2=NC(=NC3=CC(=O)N(C=C32)C4(CC4)C)C
InChI
InChI=1S/C22H23F3N4O/c1-12-15(6-5-7-17(12)22(23,24)25)13(2)26-20-16-11-29(21(4)8-9-21)19(30)10-18(16)27-14(3)28-20/h5-7,10-11,13H,8-9H2,1-4H3,(H,26,27,28)/t13-/m1/s1
InChIKey
RVIBMYNEVGUCHR-CYBMUJFWSA-N
Chemical Structure
2D Structure
2D structure of US10829487, Example I-37
CAS: 2359690-13-2
CID: 138751102
Formula: C22H23F3N4O
MW: 416.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight416.4
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass416.18239586
Monoisotopic Mass416.18239586
Topological Polar Surface Area57.1 Ų
Heavy Atom Count30
Formal Charge0
Complexity866
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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