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AZD7624

CAT: 0127-BUP04820-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP04820-01Size:5 mg
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CAS Number
1095004-78-6
Synonyms
AZD-7624
Purity
=98%
Smiles
CNCCOc1ccccc1C1(CC1)Nc1nccn(-c2cc(cc(F)c2C)C(=O)NC2CC2)c1=O

Chemical Information

Azd-7624

inhibitor of p38 mitogen-activated protein kinase (MAPK) for treatment of COPD

CAS Number1095004-78-6
PubChem CID25143624
IUPAC NameN-cyclopropyl-3-fluoro-4-methyl-5-[3-[[1-[2-[2-(methylamino)ethoxy]phenyl]cyclopropyl]amino]-2-oxopyrazin-1-yl]benzamide
Molecular FormulaC27H30FN5O3
Molecular Weight491.6
XLogP2.5
Topological Polar Surface Area95.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Heavy Atom Count36
Formal Charge0
Complexity887
SMILES
CC1=C(C=C(C=C1F)C(=O)NC2CC2)N3C=CN=C(C3=O)NC4(CC4)C5=CC=CC=C5OCCNC
InChI
InChI=1S/C27H30FN5O3/c1-17-21(28)15-18(25(34)31-19-7-8-19)16-22(17)33-13-11-30-24(26(33)35)32-27(9-10-27)20-5-3-4-6-23(20)36-14-12-29-2/h3-6,11,13,15-16,19,29H,7-10,12,14H2,1-2H3,(H,30,32)(H,31,34)
InChIKey
NNKPHNTWNILINE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Azd-7624
CAS: 1095004-78-6
CID: 25143624
Formula: C27H30FN5O3
MW: 491.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight491.6
XLogP32.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Exact Mass491.23326800
Monoisotopic Mass491.23326800
Topological Polar Surface Area95.1 Ų
Heavy Atom Count36
Formal Charge0
Complexity887
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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