About 1-[4-[[(1R)-1-cyanoethyl]amino]-5-[4-[4-[2-[6-[4-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]-3-azabicyclo[4.1.0]heptan-3-yl]ethyl]cyclohexyl]triazol-1-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile
1-[4-[[(1R)-1-cyanoethyl]amino]-5-[4-[4-[2-[6-[4-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]-3-azabicyclo[4.1.0]heptan-3-yl]ethyl]cyclohexyl]triazol-1-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile (PubChem CID 171406511) has the molecular formula C41H43N13O2
and a molecular weight of 749.88 g/mol. Its IUPAC name is 1-[4-[[(1R)-1-cyanoethyl]amino]-5-[4-[4-[2-[6-[4-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]-3-azabicyclo[4.1.0]heptan-3-yl]ethyl]cyclohexyl]triazol-1-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile.
Analyze 1-[4-[[(1R)-1-cyanoethyl]amino]-5-[4-[4-[2-[6-[4-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]-3-azabicyclo[4.1.0]heptan-3-yl]ethyl]cyclohexyl]triazol-1-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of 1-[4-[[(1R)-1-cyanoethyl]amino]-5-[4-[4-[2-[6-[4-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]-3-azabicyclo[4.1.0]heptan-3-yl]ethyl]cyclohexyl]triazol-1-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile?
The IUPAC name of 1-[4-[[(1R)-1-cyanoethyl]amino]-5-[4-[4-[2-[6-[4-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]-3-azabicyclo[4.1.0]heptan-3-yl]ethyl]cyclohexyl]triazol-1-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile (CID 171406511) is 1-[4-[[(1R)-1-cyanoethyl]amino]-5-[4-[4-[2-[6-[4-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]-3-azabicyclo[4.1.0]heptan-3-yl]ethyl]cyclohexyl]triazol-1-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile.
What is the SMILES notation for 1-[4-[[(1R)-1-cyanoethyl]amino]-5-[4-[4-[2-[6-[4-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]-3-azabicyclo[4.1.0]heptan-3-yl]ethyl]cyclohexyl]triazol-1-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile?
The canonical SMILES for 1-[4-[[(1R)-1-cyanoethyl]amino]-5-[4-[4-[2-[6-[4-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]-3-azabicyclo[4.1.0]heptan-3-yl]ethyl]cyclohexyl]triazol-1-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile is C[C@H](C#N)Nc1cc(-n2ncc3cc(C#N)cnc32)ncc1-n1cc(C2CCC(CCN3CCC4(c5ccc(N6CCC(=O)NC6=O)cc5)CC4C3)CC2)nn1.
What is the InChIKey of 1-[4-[[(1R)-1-cyanoethyl]amino]-5-[4-[4-[2-[6-[4-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]-3-azabicyclo[4.1.0]heptan-3-yl]ethyl]cyclohexyl]triazol-1-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile?
The InChIKey is IHVOJBQNALGDFT-FWQDCGHQSA-N. The full InChI is InChI=1S/C41H43N13O2/c1-26(19-42)47-34-17-37(54-39-30(22-46-54)16-28(20-43)21-45-39)44-23-36(34)53-25-35(49-50-53)29-4-2-27(3-5-29)10-13-51-15-12-41(18-32(41)24-51)31-6-8-33(9-7-31)52-14-11-38(55)48-40(52)56/h6-9,16-17,21-23,25-27,29,32H,2-5,10-15,18,24H2,1H3,(H,44,47)(H,48,55,56)/t26-,27?,29?,32?,41?/m1/s1.
What are the key properties of 1-[4-[[(1R)-1-cyanoethyl]amino]-5-[4-[4-[2-[6-[4-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]-3-azabicyclo[4.1.0]heptan-3-yl]ethyl]cyclohexyl]triazol-1-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile?
1-[4-[[(1R)-1-cyanoethyl]amino]-5-[4-[4-[2-[6-[4-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]-3-azabicyclo[4.1.0]heptan-3-yl]ethyl]cyclohexyl]triazol-1-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile has a molecular weight of 749.88 g/mol, XLogP of 5.37, 10 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[(1R)-1-cyanoethyl]amino]-5-[4-[4-[2-[6-[4-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]-3-azabicyclo[4.1.0]heptan-3-yl]ethyl]cyclohexyl]triazol-1-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile is sourced from PubChem (CID 171406511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).