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GNE-207 50mg

CAT: 0628-A18844-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0628-A18844-50Size:50 mg
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CAS Number
2158266-58-9

Chemical Information

5-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]-N-methylpyridine-2-carboxamide
CAS Number2158266-58-9
PubChem CID132186469
IUPAC Name5-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]-N-methylpyridine-2-carboxamide
Molecular FormulaC29H30N6O3
Molecular Weight510.6
XLogP2
Topological Polar Surface Area102
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count38
Formal Charge0
Complexity852
SMILES
CC(=O)N1CCC2=C(C1)C(=NN2C3CCOCC3)C4=CC=CC5=CC(=NC=C54)C6=CN=C(C=C6)C(=O)NC
InChI
InChI=1S/C29H30N6O3/c1-18(36)34-11-8-27-24(17-34)28(33-35(27)21-9-12-38-13-10-21)22-5-3-4-19-14-26(32-16-23(19)22)20-6-7-25(31-15-20)29(37)30-2/h3-7,14-16,21H,8-13,17H2,1-2H3,(H,30,37)
InChIKey
MUJXZEDIWKGKQD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]-N-methylpyridine-2-carboxamide
CAS: 2158266-58-9
CID: 132186469
Formula: C29H30N6O3
MW: 510.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight510.6
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass510.23793884
Monoisotopic Mass510.23793884
Topological Polar Surface Area102 Ų
Heavy Atom Count38
Formal Charge0
Complexity852
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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