1JC

1-{5-oxo-3-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-7-yl}-N-(pyridin-2-ylmethyl)methanesulfonamide


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Chemical Component Summary

Name1-{5-oxo-3-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-7-yl}-N-(pyridin-2-ylmethyl)methanesulfonamide
Identifiers1-[11-oxidanylidene-2-(1-piperidin-4-ylpyrazol-4-yl)benzo[4,5]cyclohepta[1,2-b]pyridin-9-yl]-N-(pyridin-2-ylmethyl)methanesulfonamide
FormulaC29 H28 N6 O3 S
Molecular Weight540.636
TypeNON-POLYMER
Isomeric SMILESc1ccnc(c1)CNS(=O)(=O)Cc2ccc3c(c2)C(=O)c4cc(cnc4C=C3)c5cnn(c5)C6CCNCC6
InChIInChI=1S/C29H28N6O3S/c36-29-26-13-20(19-39(37,38)34-17-24-3-1-2-10-31-24)4-5-21(26)6-7-28-27(29)14-22(15-32-28)23-16-33-35(18-23)25-8-11-30-12-9-25/h1-7,10,13-16,18,25,30,34H,8-9,11-12,17,19H2
InChIKeyGVFOWLBJJRVCFI-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count67
Chiral Atom Count0
Bond Count72
Aromatic Bond Count23

Related Resource References

Resource NameReference
Pharos CHEMBL2323783
PubChem 71601483
ChEMBL CHEMBL2323783