Basic information
- Standard SMILES
Cn1cc(NC(=O)c2nc(C3CC3)ccc2Nc2cncnc2)c(C(=O)O)n1- InChIKey
DEDJJZUIJDPYDD-UHFFFAOYSA-N- Molecular formula
- C18H17N7O3
- Average molar mass
- 379.4 g/mol
Names & identifiers
- Preferred name
- 4-{[6-Cyclopropyl-3-(pyrimidin-5-ylamino)-pyridine-2-carbonyl]-amino}-1-methyl-1H-pyrazole-3-carboxylic acid
- IUPAC
- 4-[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carbonyl]amino]-1-methylpyrazole-3-carboxylic acid
Names & synonyms
SCHEMBL7517098DEDJJZUIJDPYDD-UHFFFAOYSA-N4-{[6-Cyclopropyl-3-(pyrimidin-5-ylamino)-pyridine-2-carbonyl]-amino}-1-methyl-1H-pyrazole-3-carboxylic acid
Database identifiers
- PubChem CID
- 70116484
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 582
Related reactions
4 records
Compound notes
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