6-(3,3-difluoroazetidin-1-yl)-4-[6-[4-[(5-methoxy-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-[6-[(6-methylsulfanyl-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-[4-[(6-methylsulfanyl-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C114H108F4N34OS2 — CID 167565712

About 6-(3,3-difluoroazetidin-1-yl)-4-[6-[4-[(5-methoxy-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-[6-[(6-methylsulfanyl-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-[4-[(6-methylsulfanyl-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

6-(3,3-difluoroazetidin-1-yl)-4-[6-[4-[(5-methoxy-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-[6-[(6-methylsulfanyl-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-[4-[(6-methylsulfanyl-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 167565712) has the molecular formula C114H108F4N34OS2 and a molecular weight of 2110.48 g/mol. Its IUPAC name is 6-(3,3-difluoroazetidin-1-yl)-4-[6-[4-[(5-methoxy-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-[6-[(6-methylsulfanyl-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-[4-[(6-methylsulfanyl-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-(3,3-difluoroazetidin-1-yl)-4-[6-[4-[(5-methoxy-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-[6-[(6-methylsulfanyl-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-[4-[(6-methylsulfanyl-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 167565712
• Molecular Formula: C114H108F4N34OS2
• Molecular Weight: 2110.48 g/mol
• Exact Mass: 2108.88
• IUPAC Name: 6-(3,3-difluoroazetidin-1-yl)-4-[6-[4-[(5-methoxy-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-[6-[(6-methylsulfanyl-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-[4-[(6-methylsulfanyl-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: CCc1ccc(CN2CCN(c3ccc(-c4cc(-c5cnn(C(F)F)c5)cn5ncc(C#N)c45)cn3)CC2)cc1.COc1ccc(CN2CCN(c3ccc(-c4cc(N5CC(F)(F)C5)cn5ncc(C#N)c45)cn3)CC2)nc1.CSc1ccc(CN2C3CC2CN(c2ccc(-c4cc(-c5cnn(C)c5)cn5ncc(C#N)c45)cn2)C3)cn1.CSc1cccc(CN2CCN(c3ccc(-c4cc(-c5cnn(C)c5)cn5ncc(C#N)c45)cn3)CC2)n1
• InChI: InChI=1S/C30H28F2N8.C29H27N9S.C28H27N9S.C27H26F2N8O/c1-2-21-3-5-22(6-4-21)18-37-9-11-38(12-10-37)28-8-7-23(15-34-28)27-13-24(26-17-36-40(20-26)30(31)32)19-39-29(27)25(14-33)16-35-39;1-35-15-23(13-33-35)21-7-26(29-22(9-30)12-34-38(29)16-21)20-4-5-27(31-11-20)36-17-24-8-25(18-36)37(24)14-19-3-6-28(39-2)32-10-19;1-34-17-23(16-31-34)21-12-25(28-22(13-29)15-32-37(28)18-21)20-6-7-26(30-14-20)36-10-8-35(9-11-36)19-24-4-3-5-27(33-24)38-2;1-38-23-4-3-21(31-14-23)15-34-6-8-35(9-7-34)25-5-2-19(12-32-25)24-10-22(36-17-27(28,29)18-36)16-37-26(24)20(11-30)13-33-37/h3-8,13,15-17,19-20,30H,2,9-12,18H2,1H3;3-7,10-13,15-16,24-25H,8,14,17-18H2,1-2H3;3-7,12,14-18H,8-11,19H2,1-2H3;2-5,10,12-14,16H,6-9,15,17-18H2,1H3
• InChIKey: FGESRFJXINQBBY-UHFFFAOYSA-N
• XLogP: 17.22
• TPSA: 346.44 Ų
• H-Bond Acceptors: 37
• Rotatable Bonds: 25
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2110.48
LogP ≤ 5	17.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of 6-(3,3-difluoroazetidin-1-yl)-4-[6-[4-[(5-methoxy-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-[6-[(6-methylsulfanyl-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-[4-[(6-methylsulfanyl-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 6-(3,3-difluoroazetidin-1-yl)-4-[6-[4-[(5-methoxy-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-[6-[(6-methylsulfanyl-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-[4-[(6-methylsulfanyl-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 167565712) is 6-(3,3-difluoroazetidin-1-yl)-4-[6-[4-[(5-methoxy-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-[6-[(6-methylsulfanyl-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-[4-[(6-methylsulfanyl-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

What is the SMILES notation for 6-(3,3-difluoroazetidin-1-yl)-4-[6-[4-[(5-methoxy-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-[6-[(6-methylsulfanyl-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-[4-[(6-methylsulfanyl-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 6-(3,3-difluoroazetidin-1-yl)-4-[6-[4-[(5-methoxy-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-[6-[(6-methylsulfanyl-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-[4-[(6-methylsulfanyl-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is CCc1ccc(CN2CCN(c3ccc(-c4cc(-c5cnn(C(F)F)c5)cn5ncc(C#N)c45)cn3)CC2)cc1.COc1ccc(CN2CCN(c3ccc(-c4cc(N5CC(F)(F)C5)cn5ncc(C#N)c45)cn3)CC2)nc1.CSc1ccc(CN2C3CC2CN(c2ccc(-c4cc(-c5cnn(C)c5)cn5ncc(C#N)c45)cn2)C3)cn1.CSc1cccc(CN2CCN(c3ccc(-c4cc(-c5cnn(C)c5)cn5ncc(C#N)c45)cn3)CC2)n1.

What is the InChIKey of 6-(3,3-difluoroazetidin-1-yl)-4-[6-[4-[(5-methoxy-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-[6-[(6-methylsulfanyl-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-[4-[(6-methylsulfanyl-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is FGESRFJXINQBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28F2N8.C29H27N9S.C28H27N9S.C27H26F2N8O/c1-2-21-3-5-22(6-4-21)18-37-9-11-38(12-10-37)28-8-7-23(15-34-28)27-13-24(26-17-36-40(20-26)30(31)32)19-39-29(27)25(14-33)16-35-39;1-35-15-23(13-33-35)21-7-26(29-22(9-30)12-34-38(29)16-21)20-4-5-27(31-11-20)36-17-24-8-25(18-36)37(24)14-19-3-6-28(39-2)32-10-19;1-34-17-23(16-31-34)21-12-25(28-22(13-29)15-32-37(28)18-21)20-6-7-26(30-14-20)36-10-8-35(9-11-36)19-24-4-3-5-27(33-24)38-2;1-38-23-4-3-21(31-14-23)15-34-6-8-35(9-7-34)25-5-2-19(12-32-25)24-10-22(36-17-27(28,29)18-36)16-37-26(24)20(11-30)13-33-37/h3-8,13,15-17,19-20,30H,2,9-12,18H2,1H3;3-7,10-13,15-16,24-25H,8,14,17-18H2,1-2H3;3-7,12,14-18H,8-11,19H2,1-2H3;2-5,10,12-14,16H,6-9,15,17-18H2,1H3.

What are the key properties of 6-(3,3-difluoroazetidin-1-yl)-4-[6-[4-[(5-methoxy-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-[6-[(6-methylsulfanyl-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-[4-[(6-methylsulfanyl-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

6-(3,3-difluoroazetidin-1-yl)-4-[6-[4-[(5-methoxy-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-[6-[(6-methylsulfanyl-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-[4-[(6-methylsulfanyl-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 2110.48 g/mol, XLogP of 17.22, 25 rotatable bonds, 0 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(3,3-difluoroazetidin-1-yl)-4-[6-[4-[(5-methoxy-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-[6-[(6-methylsulfanyl-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-[4-[(6-methylsulfanyl-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 167565712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).