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GNE-4997 5mg

CAT: 0628-A17188-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0628-A17188-5Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1705602-02-3

Chemical Information

Cycloprop[f]indazole-3-carboxamide, 5,5-difluoro-1,4,4a,5,5a,6-hexahydro-5a-methyl-N-[1-[phenyl(tetrahydro-1,1-dioxido-2H-thiopyran-2-yl)methyl]-1H-pyrazol-4-yl]-
CAS Number1705602-02-3
PubChem CID118116154
IUPAC NameN-[1-[(1,1-dioxothian-2-yl)-phenylmethyl]pyrazol-4-yl]-5,5-difluoro-5a-methyl-1,4,4a,6-tetrahydrocyclopropa[f]indazole-3-carboxamide
Molecular FormulaC25H27F2N5O3S
Molecular Weight515.6
XLogP3.3
Topological Polar Surface Area118
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count36
Formal Charge0
Complexity971
SMILES
CC12CC3=C(CC1C2(F)F)C(=NN3)C(=O)NC4=CN(N=C4)C(C5CCCCS5(=O)=O)C6=CC=CC=C6
InChI
InChI=1S/C25H27F2N5O3S/c1-24-12-18-17(11-20(24)25(24,26)27)21(31-30-18)23(33)29-16-13-28-32(14-16)22(15-7-3-2-4-8-15)19-9-5-6-10-36(19,34)35/h2-4,7-8,13-14,19-20,22H,5-6,9-12H2,1H3,(H,29,33)(H,30,31)
InChIKey
JNRFIKALOWSUBG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cycloprop[f]indazole-3-carboxamide, 5,5-difluoro-1,4,4a,5,5a,6-hexahydro-5a-methyl-N-[1-[phenyl(tetrahydro-1,1-dioxido-2H-thiopyran-2-yl)methyl]-1H-pyrazol-4-yl]-
CAS: 1705602-02-3
CID: 118116154
Formula: C25H27F2N5O3S
MW: 515.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight515.6
XLogP33.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass515.18026724
Monoisotopic Mass515.18026724
Topological Polar Surface Area118 Ų
Heavy Atom Count36
Formal Charge0
Complexity971
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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