Basic information
- Standard SMILES
COC(=O)C=Cc1ccc2c(-c3c(-c4cccc(C)n4)nn4c3CCC4)ccnc2c1- InChIKey
CTIAUWJPXLUBSM-UHFFFAOYSA-N- Molecular formula
- C25H22N4O2
- Average molar mass
- 410.5 g/mol
Names & identifiers
- Preferred name
- 3-{4-[2-(6-Methyl-pyridin-2-yl)-5,6-dihydro-4H-pyrrolo [1,2-b]pyrazol-3-yl]-quinolin-7-yl}-acrylic Acid Methyl Ester
- IUPAC
- methyl 3-[4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinolin-7-yl]prop-2-enoate
Names & synonyms
SCHEMBL415286CTIAUWJPXLUBSM-UHFFFAOYSA-N3-{4-[2-(6-Methyl-pyridin-2-yl)-5,6-dihydro-4H-pyrrolo [1,2-b]pyrazol-3-yl]-quinolin-7-yl}-acrylic Acid Methyl Ester3-{4-[2-(6-methyl-pyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-quinolin-7-yl}-acrylic acid methyl ester
Database identifiers
- PubChem CID
- 66679480
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 69.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 670
Related reactions
4 records
Linked notes
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