Olorofim (F901318)

CAT: 1568-C21806-100mgSize: 100 mgDry Ice: NoHazardous: No

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CAT#:1568-C21806-100mgSize:100 mg

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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 Number	1928707-56-5
PubChem CID	91885568
IUPAC Name	2-(1,5-dimethyl-3-phenylpyrrol-2-yl)-N-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]phenyl]-2-oxoacetamide
Molecular Formula	C28H27FN6O2
Molecular Weight	498.6
XLogP	4.2
Topological Polar Surface Area	83.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Heavy Atom Count	37
Formal Charge	0
Complexity	771

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

CAS: 1928707-56-5

CID: 91885568

Formula: C28H27FN6O2

MW: 498.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	498.6
XLogP3	4.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Exact Mass	498.21795229
Monoisotopic Mass	498.21795229
Topological Polar Surface Area	83.4 Å²
Heavy Atom Count	37
Formal Charge	0
Complexity	771
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
E6773-01	Olorofim (F901318)
T27300-01	Olorofim

Olorofim (F901318)

Chemical Information

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