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DDR inhibitor

CAT: 0926-UQC06980-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0926-UQC06980-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1644069-80-6
MDL Number
MFCD31567545
Smiles
CC1=C (C=C (C=C1) CNC (=O) NC2=CC (=CC=C2) F) NC (=O) C3=CN=C4N3C=CC=C4
Molecular Formula
C23H20FN5O2
Molecular Weight
417.4 g/mol
Controlled
No

Chemical Information

N-[5-({[(3-Fluorophenyl)carbamoyl]amino}methyl)-2-Methylphenyl]imidazo[1,2-A]pyridine-3-Carboxamide
CAS Number1644069-80-6
PubChem CID86764579
IUPAC NameN-[5-[[(3-fluorophenyl)carbamoylamino]methyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
Molecular FormulaC23H20FN5O2
Molecular Weight417.4
XLogP3.9
Topological Polar Surface Area87.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count31
Formal Charge0
Complexity635
SMILES
CC1=C(C=C(C=C1)CNC(=O)NC2=CC(=CC=C2)F)NC(=O)C3=CN=C4N3C=CC=C4
InChI
InChI=1S/C23H20FN5O2/c1-15-8-9-16(13-26-23(31)27-18-6-4-5-17(24)12-18)11-19(15)28-22(30)20-14-25-21-7-2-3-10-29(20)21/h2-12,14H,13H2,1H3,(H,28,30)(H2,26,27,31)
InChIKey
ZPVUIOVIUFJGHO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[5-({[(3-Fluorophenyl)carbamoyl]amino}methyl)-2-Methylphenyl]imidazo[1,2-A]pyridine-3-Carboxamide
CAS: 1644069-80-6
CID: 86764579
Formula: C23H20FN5O2
MW: 417.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight417.4
XLogP33.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass417.16010306
Monoisotopic Mass417.16010306
Topological Polar Surface Area87.5 Ų
Heavy Atom Count31
Formal Charge0
Complexity635
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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