[2-(3-{2-dimethylcarbamoyl-4-[3-(2-methoxy-phenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-phenyl}-ureido)-ethyl]-methyl-carbamic acid tert-butyl ester
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
COc1ccccc1-c1c[nH]c2ncc(-c3ccc(NC(=O)NCCN(C)C(=O)OC(C)(C)C)c(C(=O)N(C)C)c3)cc12- InChIKey
QNCARLWZYAHLHW-UHFFFAOYSA-N- Molecular formula
- C32H38N6O5
- Average molar mass
- 586.7 g/mol
Names & identifiers
- Preferred name
- [2-(3-{2-dimethylcarbamoyl-4-[3-(2-methoxy-phenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-phenyl}-ureido)-ethyl]-methyl-carbamic acid tert-butyl ester
- IUPAC
- tert-butyl N-[2-[[2-(dimethylcarbamoyl)-4-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]carbamoylamino]ethyl]-N-methylcarbamate
Names & synonyms
SCHEMBL3570870QNCARLWZYAHLHW-UHFFFAOYSA-N[2-(3-{2-dimethylcarbamoyl-4-[3-(2-methoxy-phenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-phenyl}-ureido)-ethyl]-methyl-carbamic acid tert-butyl ester
Database identifiers
- PubChem CID
- 57731591
Properties
Computed structural propertiesFilling in
- XLogP
- 4.4
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 957
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
3 records
Compound notes
Loading…