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JQEZ5 100mg

CAT: 0628-A16961-100Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0628-A16961-100Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1913252-04-6

Chemical Information

Jqez5
CAS Number1913252-04-6
PubChem CID121322599
IUPAC NameN-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
Molecular FormulaC30H38N8O2
Molecular Weight542.7
XLogP3.3
Topological Polar Surface Area108
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count40
Formal Charge0
Complexity988
SMILES
CCCC1=C(C(=O)NC(=C1)C)CNC(=O)C2=CC(=NC3=C2C=NN3C(C)C)C4=CN=C(C=C4)N5CCN(CC5)C
InChI
InChI=1S/C30H38N8O2/c1-6-7-21-14-20(4)34-30(40)24(21)17-32-29(39)23-15-26(35-28-25(23)18-33-38(28)19(2)3)22-8-9-27(31-16-22)37-12-10-36(5)11-13-37/h8-9,14-16,18-19H,6-7,10-13,17H2,1-5H3,(H,32,39)(H,34,40)
InChIKey
LQTWDAYNGMMHLV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Jqez5
CAS: 1913252-04-6
CID: 121322599
Formula: C30H38N8O2
MW: 542.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight542.7
XLogP33.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass542.31177248
Monoisotopic Mass542.31177248
Topological Polar Surface Area108 Ų
Heavy Atom Count40
Formal Charge0
Complexity988
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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