bis(6-(6,6-dimethyl-2,3-dihydropyran-4-yl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile);bis(6-(6,6-dimethyl-2,5-dihydropyran-4-yl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile);(6,6-dimethyl-2,3-dihydropyran-4-yl) trifluoromethanesulfonate;(6,6-dimethyl-2,5-dihydropyran-4-yl) trifluoromethanesulfonate;2,2-dimethyloxan-4-one;1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide

C159H171F12N29O22S4 — CID 164954876

About bis(6-(6,6-dimethyl-2,3-dihydropyran-4-yl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile);bis(6-(6,6-dimethyl-2,5-dihydropyran-4-yl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile);(6,6-dimethyl-2,3-dihydropyran-4-yl) trifluoromethanesulfonate;(6,6-dimethyl-2,5-dihydropyran-4-yl) trifluoromethanesulfonate;2,2-dimethyloxan-4-one;1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide

bis(6-(6,6-dimethyl-2,3-dihydropyran-4-yl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile);bis(6-(6,6-dimethyl-2,5-dihydropyran-4-yl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile);(6,6-dimethyl-2,3-dihydropyran-4-yl) trifluoromethanesulfonate;(6,6-dimethyl-2,5-dihydropyran-4-yl) trifluoromethanesulfonate;2,2-dimethyloxan-4-one;1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide (PubChem CID 164954876) has the molecular formula C159H171F12N29O22S4 and a molecular weight of 3196.54 g/mol. Its IUPAC name is bis(6-(6,6-dimethyl-2,3-dihydropyran-4-yl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile);bis(6-(6,6-dimethyl-2,5-dihydropyran-4-yl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile);(6,6-dimethyl-2,3-dihydropyran-4-yl) trifluoromethanesulfonate;(6,6-dimethyl-2,5-dihydropyran-4-yl) trifluoromethanesulfonate;2,2-dimethyloxan-4-one;1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide.

Molecular Properties

• Compound Name: bis(6-(6,6-dimethyl-2,3-dihydropyran-4-yl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile);bis(6-(6,6-dimethyl-2,5-dihydropyran-4-yl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile);(6,6-dimethyl-2,3-dihydropyran-4-yl) trifluoromethanesulfonate;(6,6-dimethyl-2,5-dihydropyran-4-yl) trifluoromethanesulfonate;2,2-dimethyloxan-4-one;1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide
• PubChem CID: 164954876
• Molecular Formula: C159H171F12N29O22S4
• Molecular Weight: 3196.54 g/mol
• Exact Mass: 3194.18
• IUPAC Name: bis(6-(6,6-dimethyl-2,3-dihydropyran-4-yl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile);bis(6-(6,6-dimethyl-2,5-dihydropyran-4-yl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile);(6,6-dimethyl-2,3-dihydropyran-4-yl) trifluoromethanesulfonate;(6,6-dimethyl-2,5-dihydropyran-4-yl) trifluoromethanesulfonate;2,2-dimethyloxan-4-one;1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide
• SMILES: CC1(C)C=C(OS(=O)(=O)C(F)(F)F)CCO1.CC1(C)CC(=O)CCO1.CC1(C)CC(OS(=O)(=O)C(F)(F)F)=CCO1.COc1ccc(CN2C3CC2CN(c2ccc(-c4cc(C5=CC(C)(C)OCC5)cn5ncc(C#N)c45)cn2)C3)cn1.COc1ccc(CN2C3CC2CN(c2ccc(-c4cc(C5=CC(C)(C)OCC5)cn5ncc(C#N)c45)cn2)C3)cn1.COc1ccc(CN2C3CC2CN(c2ccc(-c4cc(C5=CCOC(C)(C)C5)cn5ncc(C#N)c45)cn2)C3)cn1.COc1ccc(CN2C3CC2CN(c2ccc(-c4cc(C5=CCOC(C)(C)C5)cn5ncc(C#N)c45)cn2)C3)cn1.O=S(=O)(N(c1ccccc1)S(=O)(=O)C(F)(F)F)C(F)(F)F
• InChI: InChI=1S/4C32H33N7O2.C8H5F6NO4S2.2C8H11F3O4S.C7H12O2/c4*1-32(2)12-22(8-9-41-32)24-10-28(31-25(13-33)16-36-39(31)18-24)23-5-6-29(34-15-23)37-19-26-11-27(20-37)38(26)17-21-4-7-30(40-3)35-14-21;9-7(10,11)20(16,17)15(6-4-2-1-3-5-6)21(18,19)8(12,13)14;2*1-7(2)5-6(3-4-14-7)15-16(12,13)8(9,10)11;1-7(2)5-6(8)3-4-9-7/h2*4-7,10,12,14-16,18,26-27H,8-9,11,17,19-20H2,1-3H3;2*4-8,10,14-16,18,26-27H,9,11-12,17,19-20H2,1-3H3;1-5H;5H,3-4H2,1-2H3;3H,4-5H2,1-2H3;3-5H2,1-2H3
• InChIKey: BARRBYAORSVCCH-UHFFFAOYSA-N
• XLogP: 26.08
• TPSA: 570.26 Ų
• H-Bond Acceptors: 50
• Rotatable Bonds: 31
• Heavy Atoms: 226
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3196.54
LogP ≤ 5	26.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	50

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(6-(6,6-dimethyl-2,3-dihydropyran-4-yl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile);bis(6-(6,6-dimethyl-2,5-dihydropyran-4-yl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile);(6,6-dimethyl-2,3-dihydropyran-4-yl) trifluoromethanesulfonate;(6,6-dimethyl-2,5-dihydropyran-4-yl) trifluoromethanesulfonate;2,2-dimethyloxan-4-one;1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide?

The IUPAC name of bis(6-(6,6-dimethyl-2,3-dihydropyran-4-yl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile);bis(6-(6,6-dimethyl-2,5-dihydropyran-4-yl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile);(6,6-dimethyl-2,3-dihydropyran-4-yl) trifluoromethanesulfonate;(6,6-dimethyl-2,5-dihydropyran-4-yl) trifluoromethanesulfonate;2,2-dimethyloxan-4-one;1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide (CID 164954876) is bis(6-(6,6-dimethyl-2,3-dihydropyran-4-yl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile);bis(6-(6,6-dimethyl-2,5-dihydropyran-4-yl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile);(6,6-dimethyl-2,3-dihydropyran-4-yl) trifluoromethanesulfonate;(6,6-dimethyl-2,5-dihydropyran-4-yl) trifluoromethanesulfonate;2,2-dimethyloxan-4-one;1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide.

What is the SMILES notation for bis(6-(6,6-dimethyl-2,3-dihydropyran-4-yl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile);bis(6-(6,6-dimethyl-2,5-dihydropyran-4-yl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile);(6,6-dimethyl-2,3-dihydropyran-4-yl) trifluoromethanesulfonate;(6,6-dimethyl-2,5-dihydropyran-4-yl) trifluoromethanesulfonate;2,2-dimethyloxan-4-one;1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide?

The canonical SMILES for bis(6-(6,6-dimethyl-2,3-dihydropyran-4-yl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile);bis(6-(6,6-dimethyl-2,5-dihydropyran-4-yl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile);(6,6-dimethyl-2,3-dihydropyran-4-yl) trifluoromethanesulfonate;(6,6-dimethyl-2,5-dihydropyran-4-yl) trifluoromethanesulfonate;2,2-dimethyloxan-4-one;1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide is CC1(C)C=C(OS(=O)(=O)C(F)(F)F)CCO1.CC1(C)CC(=O)CCO1.CC1(C)CC(OS(=O)(=O)C(F)(F)F)=CCO1.COc1ccc(CN2C3CC2CN(c2ccc(-c4cc(C5=CC(C)(C)OCC5)cn5ncc(C#N)c45)cn2)C3)cn1.COc1ccc(CN2C3CC2CN(c2ccc(-c4cc(C5=CC(C)(C)OCC5)cn5ncc(C#N)c45)cn2)C3)cn1.COc1ccc(CN2C3CC2CN(c2ccc(-c4cc(C5=CCOC(C)(C)C5)cn5ncc(C#N)c45)cn2)C3)cn1.COc1ccc(CN2C3CC2CN(c2ccc(-c4cc(C5=CCOC(C)(C)C5)cn5ncc(C#N)c45)cn2)C3)cn1.O=S(=O)(N(c1ccccc1)S(=O)(=O)C(F)(F)F)C(F)(F)F.

What is the InChIKey of bis(6-(6,6-dimethyl-2,3-dihydropyran-4-yl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile);bis(6-(6,6-dimethyl-2,5-dihydropyran-4-yl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile);(6,6-dimethyl-2,3-dihydropyran-4-yl) trifluoromethanesulfonate;(6,6-dimethyl-2,5-dihydropyran-4-yl) trifluoromethanesulfonate;2,2-dimethyloxan-4-one;1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide?

The InChIKey is BARRBYAORSVCCH-UHFFFAOYSA-N. The full InChI is InChI=1S/4C32H33N7O2.C8H5F6NO4S2.2C8H11F3O4S.C7H12O2/c4*1-32(2)12-22(8-9-41-32)24-10-28(31-25(13-33)16-36-39(31)18-24)23-5-6-29(34-15-23)37-19-26-11-27(20-37)38(26)17-21-4-7-30(40-3)35-14-21;9-7(10,11)20(16,17)15(6-4-2-1-3-5-6)21(18,19)8(12,13)14;2*1-7(2)5-6(3-4-14-7)15-16(12,13)8(9,10)11;1-7(2)5-6(8)3-4-9-7/h2*4-7,10,12,14-16,18,26-27H,8-9,11,17,19-20H2,1-3H3;2*4-8,10,14-16,18,26-27H,9,11-12,17,19-20H2,1-3H3;1-5H;5H,3-4H2,1-2H3;3H,4-5H2,1-2H3;3-5H2,1-2H3.

What are the key properties of bis(6-(6,6-dimethyl-2,3-dihydropyran-4-yl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile);bis(6-(6,6-dimethyl-2,5-dihydropyran-4-yl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile);(6,6-dimethyl-2,3-dihydropyran-4-yl) trifluoromethanesulfonate;(6,6-dimethyl-2,5-dihydropyran-4-yl) trifluoromethanesulfonate;2,2-dimethyloxan-4-one;1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide?

bis(6-(6,6-dimethyl-2,3-dihydropyran-4-yl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile);bis(6-(6,6-dimethyl-2,5-dihydropyran-4-yl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile);(6,6-dimethyl-2,3-dihydropyran-4-yl) trifluoromethanesulfonate;(6,6-dimethyl-2,5-dihydropyran-4-yl) trifluoromethanesulfonate;2,2-dimethyloxan-4-one;1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide has a molecular weight of 3196.54 g/mol, XLogP of 26.08, 31 rotatable bonds, 0 hydrogen bond donors, and 50 hydrogen bond acceptors.

Where does this data come from?

All data for bis(6-(6,6-dimethyl-2,3-dihydropyran-4-yl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile);bis(6-(6,6-dimethyl-2,5-dihydropyran-4-yl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile);(6,6-dimethyl-2,3-dihydropyran-4-yl) trifluoromethanesulfonate;(6,6-dimethyl-2,5-dihydropyran-4-yl) trifluoromethanesulfonate;2,2-dimethyloxan-4-one;1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide is sourced from PubChem (CID 164954876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).