Basic information
- Standard SMILES
CC(C)N1CCN(CCC(=O)Nc2cccc(-c3nc(Nc4ccc5c(cnn5C(=O)OC(C)(C)C)c4)c4ccccc4n3)c2)CC1- InChIKey
DZHBEASSYOBXPT-UHFFFAOYSA-N- Molecular formula
- C36H42N8O3
- Average molar mass
- 634.8 g/mol
- Monoisotopic mass
- 634.33798723
Names & identifiers
- Preferred name
- tert-butyl 5-(2-(3-(3-(4-isopropylpiperazin-1-yl)propanamido)phenyl)quinazolin-4-ylamino)-1H-indazole-1-carboxylate
- IUPAC
- tert-butyl 5-[[2-[3-[3-(4-propan-2-ylpiperazin-1-yl)propanoylamino]phenyl]quinazolin-4-yl]amino]indazole-1-carboxylate
Names & synonyms
SCHEMBL3789920DZHBEASSYOBXPT-UHFFFAOYSA-Ntert-butyl 5-(2-(3-(3-(4-isopropylpiperazin-1-yl)propanamido)phenyl)-quinazolin-4-ylamino)-1H-indazole-1-carboxylatetert-butyl 5-(2-(3-(3-(4-isopropylpiperazin-1-yl)propanamido)phenyl)quinazolin-4-ylamino)-1H-indazole-1-carboxylate
Database identifiers
- PubChem CID
- 59361908
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 10
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 1,050
Related reactions
8 records
Compound notes
Loading…