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AM5992

CAT: 0013-GTR19184250-06Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19184250-06Size:10 mg
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Description
AM5992
CAS Number
1169694-98-7
Field of Research
Cell Biology
Smiles
FC1=NC=CC=2C=3C=NC (=NC3N (C12) C4CCCC4) NC5=NC=C (C=C5) N6CCC (N (C) CCO) CC6
Molecular Formula
C27H33FN8O
Molecular Weight
504.6
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Cdk4/6-IN-16
CAS Number1169694-98-7
PubChem CID58299817
IUPAC Name2-[[1-[6-[(8-cyclopentyl-10-fluoro-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl)amino]-3-pyridinyl]piperidin-4-yl]-methylamino]ethanol
Molecular FormulaC27H33FN8O
Molecular Weight504.6
XLogP3.7
Topological Polar Surface Area95.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Heavy Atom Count37
Formal Charge0
Complexity735
SMILES
CN(CCO)C1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C5=C(C(=NC=C5)F)N(C4=N3)C6CCCC6
InChI
InChI=1S/C27H33FN8O/c1-34(14-15-37)18-9-12-35(13-10-18)20-6-7-23(30-16-20)32-27-31-17-22-21-8-11-29-25(28)24(21)36(26(22)33-27)19-4-2-3-5-19/h6-8,11,16-19,37H,2-5,9-10,12-15H2,1H3,(H,30,31,32,33)
InChIKey
MNCSFNFCKABAFF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cdk4/6-IN-16
CAS: 1169694-98-7
CID: 58299817
Formula: C27H33FN8O
MW: 504.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight504.6
XLogP33.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Exact Mass504.27613587
Monoisotopic Mass504.27613587
Topological Polar Surface Area95.2 Ų
Heavy Atom Count37
Formal Charge0
Complexity735
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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CatalogName
T67780-01AM5992

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