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HDHODH-IN-7

CAT: 1410-M26162-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:1410-M26162-01Size:2 mg
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Description
DHODH-IN-9 (Compound 10k) is a nitrogen-containing analog and is a human dihydrorotatory dehydrogenase inhibitor.
CAS Number
1644156-41-1
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
366.44
Molecular Formula
C21H23FN4O
Notes
Research use only, not for human use.
Receptor
Apoptosis

Chemical Information

5-cyclopropyl-2-{4-[(2-fluorophenyl)methyl]-5-methyl-3-(propan-2-yloxy)-1H-pyrazol-1-yl}pyrimidine
CAS Number1644156-41-1
PubChem CID118430504
IUPAC Name5-cyclopropyl-2-[4-[(2-fluorophenyl)methyl]-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyrimidine
Molecular FormulaC21H23FN4O
Molecular Weight366.4
XLogP4.9
Topological Polar Surface Area52.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count27
Formal Charge0
Complexity481
SMILES
CC1=C(C(=NN1C2=NC=C(C=N2)C3CC3)OC(C)C)CC4=CC=CC=C4F
InChI
InChI=1S/C21H23FN4O/c1-13(2)27-20-18(10-16-6-4-5-7-19(16)22)14(3)26(25-20)21-23-11-17(12-24-21)15-8-9-15/h4-7,11-13,15H,8-10H2,1-3H3
InChIKey
HNZNVWVVPQVTKE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-cyclopropyl-2-{4-[(2-fluorophenyl)methyl]-5-methyl-3-(propan-2-yloxy)-1H-pyrazol-1-yl}pyrimidine
CAS: 1644156-41-1
CID: 118430504
Formula: C21H23FN4O
MW: 366.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight366.4
XLogP34.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass366.18558953
Monoisotopic Mass366.18558953
Topological Polar Surface Area52.8 Ų
Heavy Atom Count27
Formal Charge0
Complexity481
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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