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ABBV-992

CAT: 0931-T89551-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T89551-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2792171-84-5
Bioactivity
ABBV-992 is an effective and selective BTK inhibitor suitable for cancer research.
Smiles
C(N)(=O)C1=C2C([C@@H](CCN2)N3CCN(C(C=C)=O)CC3)=NN1C4=CC=C(OC5=CC=CC=C5)C=C4
Molecular Formula
C26H28N6O3
Molecular Weight
472.54
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(7R)-2-(4-phenoxyphenyl)-7-(4-prop-2-enoylpiperazin-1-yl)-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide
CAS Number2792171-84-5
PubChem CID164537716
IUPAC Name(7R)-2-(4-phenoxyphenyl)-7-(4-prop-2-enoylpiperazin-1-yl)-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide
Molecular FormulaC26H28N6O3
Molecular Weight472.5
XLogP2.5
Topological Polar Surface Area106
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count35
Formal Charge0
Complexity758
SMILES
C=CC(=O)N1CCN(CC1)[C@@H]2CCNC3=C(N(N=C23)C4=CC=C(C=C4)OC5=CC=CC=C5)C(=O)N
InChI
InChI=1S/C26H28N6O3/c1-2-22(33)31-16-14-30(15-17-31)21-12-13-28-24-23(21)29-32(25(24)26(27)34)18-8-10-20(11-9-18)35-19-6-4-3-5-7-19/h2-11,21,28H,1,12-17H2,(H2,27,34)/t21-/m1/s1
InChIKey
GGGFIIVWEWVEPH-OAQYLSRUSA-N
Chemical Structure
2D Structure
2D structure of (7R)-2-(4-phenoxyphenyl)-7-(4-prop-2-enoylpiperazin-1-yl)-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide
CAS: 2792171-84-5
CID: 164537716
Formula: C26H28N6O3
MW: 472.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight472.5
XLogP32.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass472.22228878
Monoisotopic Mass472.22228878
Topological Polar Surface Area106 Ų
Heavy Atom Count35
Formal Charge0
Complexity758
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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