About tert-butyl (2R)-2-[[3-cyano-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridin-6-yl]oxymethyl]morpholine-4-carboxylate
tert-butyl (2R)-2-[[3-cyano-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridin-6-yl]oxymethyl]morpholine-4-carboxylate (PubChem CID 134436989) has the molecular formula C34H39N9O5
and a molecular weight of 653.74 g/mol. Its IUPAC name is tert-butyl (2R)-2-[[3-cyano-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridin-6-yl]oxymethyl]morpholine-4-carboxylate.
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Frequently Asked Questions
What is the IUPAC name of tert-butyl (2R)-2-[[3-cyano-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridin-6-yl]oxymethyl]morpholine-4-carboxylate?
The IUPAC name of tert-butyl (2R)-2-[[3-cyano-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridin-6-yl]oxymethyl]morpholine-4-carboxylate (CID 134436989) is tert-butyl (2R)-2-[[3-cyano-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridin-6-yl]oxymethyl]morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-[[3-cyano-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridin-6-yl]oxymethyl]morpholine-4-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-[[3-cyano-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridin-6-yl]oxymethyl]morpholine-4-carboxylate is COc1ccc(CN2C3CC2CN(c2cnc(-c4cc(OC[C@H]5CN(C(=O)OC(C)(C)C)CCO5)cn5ncc(C#N)c45)cn2)C3)cn1.
What is the InChIKey of tert-butyl (2R)-2-[[3-cyano-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridin-6-yl]oxymethyl]morpholine-4-carboxylate?
The InChIKey is ZUDALVNFSAUSKU-JYPDZDFGSA-N. The full InChI is InChI=1S/C34H39N9O5/c1-34(2,3)48-33(44)40-7-8-46-27(19-40)21-47-26-10-28(32-23(11-35)13-39-43(32)20-26)29-14-37-30(15-36-29)41-17-24-9-25(18-41)42(24)16-22-5-6-31(45-4)38-12-22/h5-6,10,12-15,20,24-25,27H,7-9,16-19,21H2,1-4H3/t24?,25?,27-/m1/s1.
What are the key properties of tert-butyl (2R)-2-[[3-cyano-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridin-6-yl]oxymethyl]morpholine-4-carboxylate?
tert-butyl (2R)-2-[[3-cyano-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridin-6-yl]oxymethyl]morpholine-4-carboxylate has a molecular weight of 653.74 g/mol, XLogP of 3.54, 8 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[[3-cyano-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridin-6-yl]oxymethyl]morpholine-4-carboxylate is sourced from PubChem (CID 134436989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).