N-[[1-ethyl-6-methyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-2-methylpyrazole-3-carboxamide
Basic information
- CAS
2229643-38-1- Standard SMILES
CCn1ncc2c(NC3CCOCC3)c(CNC(=O)c3ccnn3C)c(C)nc21- InChIKey
GFSIASRMOIMLMZ-UHFFFAOYSA-N- Molecular formula
- C20H27N7O2
- Average molar mass
- 397.5 g/mol
- Monoisotopic mass
- 397.22262313
Names & identifiers
- Preferred name
- N-[[1-ethyl-6-methyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-2-methylpyrazole-3-carboxamide
- IUPAC
- N-[[1-ethyl-6-methyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-2-methylpyrazole-3-carboxamide
Names & synonyms
2229643-38-1N-[[1-ethyl-6-methyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-2-methylpyrazole-3-carboxamideTCMDC-136560MMV026356CID 44530259CHEMBL524204SCHEMBL1434729DTXSID101347519EBC-61022PD061357EN300-27149351SR-05000022653
Show more names
SR-05000022653-1N-({1-ethyl-6-methyl-4-[(oxan-4-yl)amino]-1H-pyrazolo[3,4-b]pyridin-5-yl}methyl)-1-methyl-1H-pyrazole-5-carboxamideN-{[(4Z)-1-ethyl-6-methyl-4-[(oxan-4-yl)imino]-1H,2H,4H-pyrazolo[3,4-b]pyridin-5-yl]methyl}-1-methyl-1H-pyrazole-5-carboxamide
Database identifiers
- CAS
2229643-38-1- PubChem CID
- 44530259
- DTXSID
DTXSID101347519- ChEMBL
CHEMBL524204
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 98.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 559
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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