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AS 2444697

CAT: 1410-M11172-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M11172-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
A potent, selective, orally bioavailable IRAK-4 inhibitor that potently inhibits human and rat IRAK-4 activity with subnanomolar order.
CAS Number
1287665-60-4
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
432.865
Molecular Formula
C19H21ClN6O4
Notes
Research use only, not for human use.
Receptor
IRAK

Chemical Information

N-(3-carbamoyl-1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)-2-(2-methylpyridin-4-yl)oxazole-4-carboxamide hydrochloride
CAS Number1287665-60-4
PubChem CID118719434
IUPAC NameN-[3-carbamoyl-1-(oxan-4-yl)pyrazol-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;hydrochloride
Molecular FormulaC19H21ClN6O4
Molecular Weight432.9
Topological Polar Surface Area138
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity601
SMILES
CC1=NC=CC(=C1)C2=NC(=CO2)C(=O)NC3=CN(N=C3C(=O)N)C4CCOCC4.Cl
InChI
InChI=1S/C19H20N6O4.ClH/c1-11-8-12(2-5-21-11)19-23-15(10-29-19)18(27)22-14-9-25(24-16(14)17(20)26)13-3-6-28-7-4-13;/h2,5,8-10,13H,3-4,6-7H2,1H3,(H2,20,26)(H,22,27);1H
InChIKey
FGNHLIIFEDYNFZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(3-carbamoyl-1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)-2-(2-methylpyridin-4-yl)oxazole-4-carboxamide hydrochloride
CAS: 1287665-60-4
CID: 118719434
Formula: C19H21ClN6O4
MW: 432.9
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight432.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass432.1312809
Monoisotopic Mass432.1312809
Topological Polar Surface Area138 Ų
Heavy Atom Count30
Formal Charge0
Complexity601
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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