[4-(1-Cyclopropanecarbonyl-1H-pyrazol-3-yl)-phenyl]-(5H,11H-pyrrolo[2,1-c][1,4]benzodiazepin-10-yl)-methanone
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Basic information
- Standard SMILES
O=C(c1ccc(-c2ccn(C(=O)C3CC3)n2)cc1)N1Cc2cccn2Cc2ccccc21- InChIKey
RMBZMOITLBWQKI-UHFFFAOYSA-N- Molecular formula
- C26H22N4O2
- Average molar mass
- 422.5 g/mol
Names & identifiers
- Preferred name
- [4-(1-Cyclopropanecarbonyl-1H-pyrazol-3-yl)-phenyl]-(5H,11H-pyrrolo[2,1-c][1,4]benzodiazepin-10-yl)-methanone
- IUPAC
- cyclopropyl-[3-[4-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl)phenyl]pyrazol-1-yl]methanone
Names & synonyms
SCHEMBL6624440RMBZMOITLBWQKI-UHFFFAOYSA-N[4-(1-Cyclopropanecarbonyl-1H-pyrazol-3-yl)-phenyl]-(5H,11H-pyrrolo[2,1-c][1,4]benzodiazepin-10-yl)-methanone
Database identifiers
- PubChem CID
- 9932009
Properties
Computed structural propertiesFilling in
- XLogP
- 3.2
- Topological polar surface area
- 60.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 717
Related reactions
3 records
Compound notes
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