Basic information
- Standard SMILES
Cn1nc(Nc2cc(Br)cn(C)c2=O)cc1CN1CCC1- InChIKey
MPHHACBKGJPBFE-UHFFFAOYSA-N- Molecular formula
- C14H18BrN5O
- Average molar mass
- 352.23 g/mol
Names & identifiers
- Preferred name
- 3-(5-(Azetidin-1-ylmethyl)-1-methyl-1H-pyrazol-3-ylamino)-5-bromo-1-methylpyridin-2(1H)-one
- IUPAC
- 3-[[5-(azetidin-1-ylmethyl)-1-methylpyrazol-3-yl]amino]-5-bromo-1-methylpyridin-2-one
Names & synonyms
SCHEMBL1393399MPHHACBKGJPBFE-UHFFFAOYSA-N3-(5-(Azetidin-1-ylmethyl)-1-methyl-1H-pyrazol-3-ylamino)-5-bromo-1-methylpyridin-2(1H)-one
Database identifiers
- PubChem CID
- 67016331
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 53.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 488
Related reactions
5 records
Compound notes
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