3-(7-(isopropylcarbamoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl)-1-methyl-4,5,6,7-tetrahydro-1H-indazole 2-oxide
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Basic information
- Standard SMILES
CC(C)NC(=O)c1c[nH]c2ncc(-c3c4c(n(C)[n+]3[O-])CCCC4)nc12- InChIKey
GYMOXAZUNMYLBP-UHFFFAOYSA-N- Molecular formula
- C18H22N6O2
- Average molar mass
- 354.4 g/mol
- Monoisotopic mass
- 354.18042397
Names & identifiers
- Preferred name
- 3-(7-(isopropylcarbamoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl)-1-methyl-4,5,6,7-tetrahydro-1H-indazole 2-oxide
- IUPAC
- 2-(1-methyl-2-oxido-4,5,6,7-tetrahydroindazol-2-ium-3-yl)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
Names & synonyms
SCHEMBL14737523GYMOXAZUNMYLBP-UHFFFAOYSA-N3-(7-(isopropylcarbamoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl)-1-methyl-4,5,6,7-tetrahydro-1H-indazole 2-oxide
Database identifiers
- PubChem CID
- 136359490
Properties
Computed structural propertiesFilling in
- XLogP
- 1.9
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 532
Related reactions
1 records
Compound notes
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