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

HCID 66679480

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

Related reactions

4 records

Linked notes

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