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2-{[2-(3,3-dimethyl-ureido)-pyridin-4-ylmethyl]-amino}-6-fluoro-N-(2-methyl-2H-indazol-6-yl)-benzamide

HCID 11626768
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CN(C)C(=O)Nc1cc(CNc2cccc(F)c2C(=O)Nc2ccc3cn(C)nc3c2)ccn1
InChIKey
BRLGDQYVDPRZKC-UHFFFAOYSA-N
Molecular formula
C24H24FN7O2
Average molar mass
461.5 g/mol

Names & identifiers

Preferred name
2-{[2-(3,3-dimethyl-ureido)-pyridin-4-ylmethyl]-amino}-6-fluoro-N-(2-methyl-2H-indazol-6-yl)-benzamide
IUPAC
2-[[2-(dimethylcarbamoylamino)-4-pyridinyl]methylamino]-6-fluoro-N-(2-methylindazol-6-yl)benzamide

Names & synonyms

SCHEMBL1488663BRLGDQYVDPRZKC-UHFFFAOYSA-N2-{[2-(3,3-dimethyl-ureido)-pyridin-4-ylmethyl]-amino}-6-fluoro-N-(2-methyl-2H-indazol-6-yl)-benzamide

Database identifiers

PubChem CID
11626768

Properties

Computed structural properties

XLogP
3
Topological polar surface area
104 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
6
Rotatable bonds
6
Heavy atoms
34
Formal charge
0
Complexity
711

Related reactions

2 records
New reaction record
HRID 600678 reaction equation
HRID 600678As productuspto-grants-2011_03
HRID 689315 reaction equation
HRID 689315As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes