5-[3-(2-methoxy-phenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethyl-2-[3-(2-methylamino-ethyl)-ureido]-benzamide
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Basic information
- Standard SMILES
CNCCNC(=O)Nc1ccc(-c2cnc3[nH]cc(-c4ccccc4OC)c3c2)cc1C(=O)N(C)C- InChIKey
XLSTUKDBXWECIX-UHFFFAOYSA-N- Molecular formula
- C27H30N6O3
- Average molar mass
- 486.6 g/mol
Names & identifiers
- Preferred name
- 5-[3-(2-methoxy-phenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethyl-2-[3-(2-methylamino-ethyl)-ureido]-benzamide
- IUPAC
- 5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethyl-2-[2-(methylamino)ethylcarbamoylamino]benzamide
Names & synonyms
SCHEMBL3572322XLSTUKDBXWECIX-UHFFFAOYSA-N5-[3-(2-methoxy-phenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethyl-2-[3-(2-methylamino-ethyl)-ureido]-benzamide
Database identifiers
- PubChem CID
- 57731565
Properties
Computed structural propertiesFilling in
- XLogP
- 3.1
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 736
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Related reactions
1 records
Compound notes
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