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Olorofim (F901318)

CAT: 1568-C21806-25mgSize: 25 mgDry Ice: NoHazardous: No
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CAT#:1568-C21806-25mgSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1928707-56-5
Synonyms
F901318
Molecular Formula
C28H27FN6O2 282762
Additionnal Information
Dihydroorotate dehydrogenase (DHODH)

Chemical Information

Olorofim

Olorofim is under investigation in clinical trial NCT03340597 (Assessment of Varying Oral Dosing Regimens for F901318 in Healthy Subjects).

CAS Number1928707-56-5
PubChem CID91885568
IUPAC Name2-(1,5-dimethyl-3-phenylpyrrol-2-yl)-N-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]phenyl]-2-oxoacetamide
Molecular FormulaC28H27FN6O2
Molecular Weight498.6
XLogP4.2
Topological Polar Surface Area83.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count37
Formal Charge0
Complexity771
SMILES
CC1=CC(=C(N1C)C(=O)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)C4=NC=C(C=N4)F)C5=CC=CC=C5
InChI
InChI=1S/C28H27FN6O2/c1-19-16-24(20-6-4-3-5-7-20)25(33(19)2)26(36)27(37)32-22-8-10-23(11-9-22)34-12-14-35(15-13-34)28-30-17-21(29)18-31-28/h3-11,16-18H,12-15H2,1-2H3,(H,32,37)
InChIKey
SUFPWYYDCOKDLL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Olorofim
CAS: 1928707-56-5
CID: 91885568
Formula: C28H27FN6O2
MW: 498.6
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight498.6
XLogP34.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass498.21795229
Monoisotopic Mass498.21795229
Topological Polar Surface Area83.4 Ų
Heavy Atom Count37
Formal Charge0
Complexity771
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

Alternative Products

CatalogName
E6773-01Olorofim (F901318)
T27300-01Olorofim

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