Basic information
- Standard SMILES
N#CCC1(n2cc(-c3ncnc4[nH]ccc34)cn2)CCN(C(N)=NC#N)CC1- InChIKey
HFIPOASYXOPVSA-UHFFFAOYSA-N- Molecular formula
- C18H18N10
- Average molar mass
- 374.4 g/mol
- Monoisotopic mass
- 374.17159062
Names & identifiers
- Preferred name
- N-Cyano-4-(cyanomethyl)-4-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]piperidine-1-carboximidamide
- IUPAC
- N'-cyano-4-(cyanomethyl)-4-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]piperidine-1-carboximidamide
Names & synonyms
SCHEMBL100838SCHEMBL100839SCHEMBL100840SCHEMBL12251712HFIPOASYXOPVSA-UHFFFAOYSA-NN'-Cyano-4-(cyanomethyl)-4-[4-(7H-pyrrolo[2, 3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]piperidine-1-carboximidamideN'-Cyano-4-(cyanomethyl)-4-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]piperi-dine-1-carboximidamiden'-cyano-4-(cyanomethyl)-4-[4-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)-1h-pyrazol-1-yl]piperidine-1-carboximidamideN-Cyano-4-(cyanomethyl)-4-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]piperidine-1-carboximidamide
Database identifiers
- PubChem CID
- 44625591
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 149 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 694
Related reactions
7 records
Compound notes
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