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GNE-049

CAT: 0607-BA4672-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0607-BA4672-5Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1936421-41-8
Form
A solid
Molecular Formula
C27H32F2N6O2
Molecular Weight
510.58
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Gne-049
CAS Number1936421-41-8
PubChem CID121373418
IUPAC Name1-[3-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
Molecular FormulaC27H32F2N6O2
Molecular Weight510.6
XLogP2.9
Topological Polar Surface Area68.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count37
Formal Charge0
Complexity816
SMILES
CC(=O)N1CCC2=C(C1)C(=NN2C3CCOCC3)N4CCCC5=CC(=C(C=C54)C(F)F)C6=CN(N=C6)C
InChI
InChI=1S/C27H32F2N6O2/c1-17(36)33-9-5-24-23(16-33)27(31-35(24)20-6-10-37-11-7-20)34-8-3-4-18-12-21(19-14-30-32(2)15-19)22(26(28)29)13-25(18)34/h12-15,20,26H,3-11,16H2,1-2H3
InChIKey
LWXLECMNBTVASW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Gne-049
CAS: 1936421-41-8
CID: 121373418
Formula: C27H32F2N6O2
MW: 510.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight510.6
XLogP32.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass510.25548061
Monoisotopic Mass510.25548061
Topological Polar Surface Area68.4 Ų
Heavy Atom Count37
Formal Charge0
Complexity816
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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