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MTOR inhibitor-2 5mg

CAT: 0628-A13035-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0628-A13035-5Size:5 mg
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CAS Number
2219323-96-1

Chemical Information

mTOR inhibitor-2
CAS Number2219323-96-1
PubChem CID137628643
IUPAC Name2-[4-[9-(6-amino-3-pyridinyl)-2-oxopyrazino[2,3-c]quinolin-1-yl]piperidin-1-yl]acetonitrile
Molecular FormulaC23H21N7O
Molecular Weight411.5
XLogP1.7
Topological Polar Surface Area112
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count31
Formal Charge0
Complexity739
SMILES
C1CN(CCC1N2C(=O)C=NC3=CN=C4C=CC(=CC4=C32)C5=CN=C(C=C5)N)CC#N
InChI
InChI=1S/C23H21N7O/c24-7-10-29-8-5-17(6-9-29)30-22(31)14-27-20-13-26-19-3-1-15(11-18(19)23(20)30)16-2-4-21(25)28-12-16/h1-4,11-14,17H,5-6,8-10H2,(H2,25,28)
InChIKey
PQEIMHBVHXTVNA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of mTOR inhibitor-2
CAS: 2219323-96-1
CID: 137628643
Formula: C23H21N7O
MW: 411.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight411.5
XLogP31.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass411.18075832
Monoisotopic Mass411.18075832
Topological Polar Surface Area112 Ų
Heavy Atom Count31
Formal Charge0
Complexity739
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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Alternative Products

CatalogName
HY-111370-01MTOR inhibitor-2
T12459-01PI3K/mTOR Inhibitor-2
SC0321-5mgTorin 2 (mTOR inhibitor)
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MBS3840898-01mTOR inhibitor (mTOR-IN-1)
M37620-01MTOR inhibitor 13
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