5-(6-Methylamino-pyrimidin-4-yloxy)-2,3-dihydro-indole-1-carboxylic acid [4-(4-ethyl-piperazin-1-ylmethyl)-phenyl]-amide
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Basic information
- Standard SMILES
CCN1CCN(Cc2ccc(NC(=O)N3CCc4cc(Oc5cc(NC)ncn5)ccc43)cc2)CC1- InChIKey
BYIDRWJHCXIPLT-UHFFFAOYSA-N- Molecular formula
- C27H33N7O2
- Average molar mass
- 487.6 g/mol
Names & identifiers
- Preferred name
- 5-(6-Methylamino-pyrimidin-4-yloxy)-2,3-dihydro-indole-1-carboxylic acid [4-(4-ethyl-piperazin-1-ylmethyl)-phenyl]-amide
- IUPAC
- N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-5-[6-(methylamino)pyrimidin-4-yl]oxy-2,3-dihydroindole-1-carboxamide
Names & synonyms
SCHEMBL12972273BYIDRWJHCXIPLT-UHFFFAOYSA-N5-(6-Methylamino-pyrimidin-4-yloxy)-2,3-dihydro-indole-1-carboxylic acid [4-(4-ethyl-piperazin-1-ylmethyl)-phenyl]-amide
Database identifiers
- PubChem CID
- 59596353
Properties
Computed structural propertiesFilling in
- XLogP
- 3.2
- Topological polar surface area
- 85.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 696
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Related reactions
2 records
Compound notes
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