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PF 06465469 5mg

CAT: 0628-A17190-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0628-A17190-5Size:5 mg
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CAS Number
1407966-77-1

Chemical Information

Discontinued See A191400
CAS Number1407966-77-1
PubChem CID71450146
IUPAC Name3-[4-amino-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-N-(3-methyl-4-propan-2-ylphenyl)benzamide
Molecular FormulaC30H33N7O2
Molecular Weight523.6
XLogP4.4
Topological Polar Surface Area119
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count39
Formal Charge0
Complexity883
SMILES
CC1=C(C=CC(=C1)NC(=O)C2=CC=CC(=C2)C3=NN(C4=NC=NC(=C34)N)[C@@H]5CCCN(C5)C(=O)C=C)C(C)C
InChI
InChI=1S/C30H33N7O2/c1-5-25(38)36-13-7-10-23(16-36)37-29-26(28(31)32-17-33-29)27(35-37)20-8-6-9-21(15-20)30(39)34-22-11-12-24(18(2)3)19(4)14-22/h5-6,8-9,11-12,14-15,17-18,23H,1,7,10,13,16H2,2-4H3,(H,34,39)(H2,31,32,33)/t23-/m1/s1
InChIKey
CGJVMKJGKFEHTL-HSZRJFAPSA-N
Chemical Structure
2D Structure
2D structure of Discontinued See A191400
CAS: 1407966-77-1
CID: 71450146
Formula: C30H33N7O2
MW: 523.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight523.6
XLogP34.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass523.26957332
Monoisotopic Mass523.26957332
Topological Polar Surface Area119 Ų
Heavy Atom Count39
Formal Charge0
Complexity883
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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