Basic information
- Standard SMILES
Cn1nc(-c2cnc3[nH]cc(C(=O)NC(C)(C)C)c3n2)c2c1CCCCC2- InChIKey
YIIWSARFNLCQIG-UHFFFAOYSA-N- Molecular formula
- C20H26N6O
- Average molar mass
- 366.5 g/mol
Names & identifiers
- Preferred name
- 2-(1-methyl-1,4,5,6,7,8-hexahydrocycloheptapyrazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid tert-butylamide
- IUPAC
- N-tert-butyl-2-(1-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
Names & synonyms
SCHEMBL14737482YIIWSARFNLCQIG-UHFFFAOYSA-N2-(1-methyl-1,4,5,6,7,8-hexahydrocycloheptapyrazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid tert-butylamide
Database identifiers
- PubChem CID
- 71279735
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 88.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 549
Related reactions
1 records
Compound notes
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