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Summary

Name:1-{6-[(3R)-4,4-difluoropiperidin-3-yl]pyridin-2-yl}-6-(6-methylpyrazin-2-yl)-1H-pyrazolo[4,3-c]pyridine
Formula:C21 H19 F2 N7
Formal charge:0
Molecular weight:407.419 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.011-{6-[(3R)-4,4-difluoropiperidin-3-yl]pyridin-2-yl}-6-(6-methylpyrazin-2-yl)-1H-pyrazolo[4,3-c]pyridine
OpenEye OEToolkits2.0.61-[6-[(3~{R})-4,4-bis(fluoranyl)piperidin-3-yl]pyridin-2-yl]-6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c2c1n(ncc1cnc2c3nc(C)cnc3)c5cccc(C4C(CCNC4)(F)F)n5
InChIInChI1.03InChI=1S/C21H19F2N7/c1-13-8-25-12-18(28-13)17-7-19-14(9-26-17)10-27-30(19)20-4-2-3-16(29-20)15-11-24-6-5-21(15,22)23/h2-4,7-10,12,15,24H,5-6,11H2,1H3/t15-/m1/s1
InChIKeyInChI1.03OIZRMKSUYVZCDN-OAHLLOKOSA-N
SMILES_CANONICALCACTVS3.385Cc1cncc(n1)c2cc3n(ncc3cn2)c4cccc(n4)[C@H]5CNCCC5(F)F
SMILESCACTVS3.385Cc1cncc(n1)c2cc3n(ncc3cn2)c4cccc(n4)[CH]5CNCCC5(F)F
SMILES_CANONICALOpenEye OEToolkits2.0.6Cc1cncc(n1)c2cc3c(cn2)cnn3c4cccc(n4)[C@H]5CNCCC5(F)F
SMILESOpenEye OEToolkits2.0.6Cc1cncc(n1)c2cc3c(cn2)cnn3c4cccc(n4)C5CNCCC5(F)F