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IHMT-PI3Kδ-372

CAT: 0607-BA7284-1Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0607-BA7284-1Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2429889-62-1
Form
A solid
Molecular Formula
C26H23F2N7O2
Molecular Weight
503.50
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

IHMT-PI3Kdelta-372
CAS Number2429889-62-1
PubChem CID146635374
IUPAC Name2-[(1R)-1-[4-amino-3-(3-fluoro-4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]propyl]-3-cyclopropyl-5-fluoroquinazolin-4-one
Molecular FormulaC26H23F2N7O2
Molecular Weight503.5
XLogP3.9
Topological Polar Surface Area112
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Heavy Atom Count37
Formal Charge0
Complexity891
SMILES
CC[C@H](C1=NC2=C(C(=CC=C2)F)C(=O)N1C3CC3)N4C5=NC=NC(=C5C(=N4)C6=CC(=C(C=C6)OC)F)N
InChI
InChI=1S/C26H23F2N7O2/c1-3-18(24-32-17-6-4-5-15(27)20(17)26(36)34(24)14-8-9-14)35-25-21(23(29)30-12-31-25)22(33-35)13-7-10-19(37-2)16(28)11-13/h4-7,10-12,14,18H,3,8-9H2,1-2H3,(H2,29,30,31)/t18-/m1/s1
InChIKey
HTUBTEAYSCSTIY-GOSISDBHSA-N
Chemical Structure
2D Structure
2D structure of IHMT-PI3Kdelta-372
CAS: 2429889-62-1
CID: 146635374
Formula: C26H23F2N7O2
MW: 503.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight503.5
XLogP33.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass503.18812933
Monoisotopic Mass503.18812933
Topological Polar Surface Area112 Ų
Heavy Atom Count37
Formal Charge0
Complexity891
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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