Basic information
- Standard SMILES
COc1cnc(-c2cncnc2)c2[nH]cc(C(=O)C(=O)N3CCN(c4nnnn4-c4ccccc4)CC3)c12- InChIKey
KAKCRJUZWLEQBZ-UHFFFAOYSA-N- Molecular formula
- C25H22N10O3
- Average molar mass
- 510.5 g/mol
- Monoisotopic mass
- 510.1876346
Names & identifiers
- Preferred name
- 1-(4-methoxy-7-(pyrimidin-5-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-(4-(1-phenyl-1H-tetrazol-5-yl)piperazin-1-yl)ethane-1,2-dione
- IUPAC
- 1-(4-methoxy-7-pyrimidin-5-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethane-1,2-dione
Names & synonyms
SCHEMBL3561542KAKCRJUZWLEQBZ-UHFFFAOYSA-N1-(4-methoxy-7-(pyrimidin-5-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-(4-(1-phenyl-1H-tetrazol-5-yl)piperazin-1-yl)ethane-1,2-dione
Database identifiers
- PubChem CID
- 59511489
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 148 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 6
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 830
Related reactions
2 records
Compound notes
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