4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(2-piperidin-4-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(2,2,2-trifluoroacetic acid)

C36H38F6N8O6 — CID 134496346

About 4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(2-piperidin-4-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(2,2,2-trifluoroacetic acid)

4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(2-piperidin-4-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(2,2,2-trifluoroacetic acid) (PubChem CID 134496346) has the molecular formula C36H38F6N8O6 and a molecular weight of 792.74 g/mol. Its IUPAC name is 4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(2-piperidin-4-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: 4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(2-piperidin-4-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(2,2,2-trifluoroacetic acid)
• PubChem CID: 134496346
• Molecular Formula: C36H38F6N8O6
• Molecular Weight: 792.74 g/mol
• Exact Mass: 792.28
• IUPAC Name: 4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(2-piperidin-4-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(2,2,2-trifluoroacetic acid)
• SMILES: COc1ccc(CN2C3CC2CN(c2ccc(-c4cc(OCCC5CCNCC5)cn5ncc(C#N)c45)cn2)C3)cn1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C32H36N8O2.2C2HF3O2/c1-41-31-5-2-23(15-36-31)18-39-26-12-27(39)20-38(19-26)30-4-3-24(16-35-30)29-13-28(21-40-32(29)25(14-33)17-37-40)42-11-8-22-6-9-34-10-7-22;2*3-2(4,5)1(6)7/h2-5,13,15-17,21-22,26-27,34H,6-12,18-20H2,1H3;2*(H,6,7)
• InChIKey: AFNRGIVHASMXOA-UHFFFAOYSA-N
• XLogP: 5.17
• TPSA: 178.44 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	792.74
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(2-piperidin-4-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(2,2,2-trifluoroacetic acid)?

The IUPAC name of 4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(2-piperidin-4-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(2,2,2-trifluoroacetic acid) (CID 134496346) is 4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(2-piperidin-4-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(2,2,2-trifluoroacetic acid).

What is the SMILES notation for 4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(2-piperidin-4-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(2,2,2-trifluoroacetic acid)?

The canonical SMILES for 4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(2-piperidin-4-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(2,2,2-trifluoroacetic acid) is COc1ccc(CN2C3CC2CN(c2ccc(-c4cc(OCCC5CCNCC5)cn5ncc(C#N)c45)cn2)C3)cn1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

What is the InChIKey of 4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(2-piperidin-4-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(2,2,2-trifluoroacetic acid)?

The InChIKey is AFNRGIVHASMXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N8O2.2C2HF3O2/c1-41-31-5-2-23(15-36-31)18-39-26-12-27(39)20-38(19-26)30-4-3-24(16-35-30)29-13-28(21-40-32(29)25(14-33)17-37-40)42-11-8-22-6-9-34-10-7-22;2*3-2(4,5)1(6)7/h2-5,13,15-17,21-22,26-27,34H,6-12,18-20H2,1H3;2*(H,6,7).

What are the key properties of 4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(2-piperidin-4-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(2,2,2-trifluoroacetic acid)?

4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(2-piperidin-4-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 792.74 g/mol, XLogP of 5.17, 9 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(2-piperidin-4-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 134496346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).