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Basic information
- Standard SMILES
COc1ccc(Cn2cc(-c3cc4n(-c5cc(NC(=O)c6cc(CN7CCCC7)cc(C(C)(C)C)c6)ccc5C)ccn4n3)cn2)cc1- InChIKey
SRSSIRBNWJVNLD-UHFFFAOYSA-N- Molecular formula
- C39H43N7O2
- Average molar mass
- 641.8 g/mol
- Monoisotopic mass
- 641.34782364
Names & identifiers
- Preferred name
- 3-tert-Butyl-N-(3-{6-[1-(4-methoxybenzyl)-1H-pyrazol-4-yl]-1H-imidazo[1,2-b]pyrazol-1-yl}-4-methylphenyl)-5-(pyrrolidin-1-ylmethyl)benzamide
- IUPAC
- 3-tert-butyl-N-[3-[6-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]imidazo[2,1-e]pyrazol-1-yl]-4-methylphenyl]-5-(pyrrolidin-1-ylmethyl)benzamide
Names & synonyms
SCHEMBL15122786SRSSIRBNWJVNLD-UHFFFAOYSA-N3-tert-Butyl-N-(3-{6-[1-(4-methoxybenzyl)-1H-pyrazol-4-yl]-1H-imidazo[1,2-b]pyrazol-1-yl}-4-methylphenyl)-5-(pyrrolidin-1-ylmethyl)benzamide
Database identifiers
- PubChem CID
- 89699652
Properties
Computed structural propertiesFilling in
- XLogP
- 6.5
- Topological polar surface area
- 81.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 1,060
Related reactions
1 records
Compound notes
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