6-(3,3-difluoroazetidin-1-yl)-4-[6-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[3-(dimethylamino)pyrrolidin-1-yl]-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[(4-ethylphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(3-isocyanoazetidin-1-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

C120H128F2N30O3 — CID 167566259

About 6-(3,3-difluoroazetidin-1-yl)-4-[6-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[3-(dimethylamino)pyrrolidin-1-yl]-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[(4-ethylphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(3-isocyanoazetidin-1-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

6-(3,3-difluoroazetidin-1-yl)-4-[6-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[3-(dimethylamino)pyrrolidin-1-yl]-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[(4-ethylphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(3-isocyanoazetidin-1-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 167566259) has the molecular formula C120H128F2N30O3 and a molecular weight of 2076.55 g/mol. Its IUPAC name is 6-(3,3-difluoroazetidin-1-yl)-4-[6-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[3-(dimethylamino)pyrrolidin-1-yl]-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[(4-ethylphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(3-isocyanoazetidin-1-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-(3,3-difluoroazetidin-1-yl)-4-[6-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[3-(dimethylamino)pyrrolidin-1-yl]-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[(4-ethylphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(3-isocyanoazetidin-1-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 167566259
• Molecular Formula: C120H128F2N30O3
• Molecular Weight: 2076.55 g/mol
• Exact Mass: 2075.08
• IUPAC Name: 6-(3,3-difluoroazetidin-1-yl)-4-[6-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[3-(dimethylamino)pyrrolidin-1-yl]-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[(4-ethylphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(3-isocyanoazetidin-1-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: CCc1ccc(CN2C3CC2CN(c2ccc(-c4cc(OCC(C)(C)O)cn5ncc(C#N)c45)cn2)C3)cc1.CCc1ccc(CN2CCN(c3ccc(-c4cc(N5CC(F)(F)C5)cn5ncc(C#N)c45)cn3)CC2)cc1.COc1ccc(CN2CCN(c3ccc(-c4cc(N5CCC(N(C)C)C5)cn5ncc(C#N)c45)cn3)CC2)cn1.[C-]#[N+]C1CN(c2cc(-c3ccc(N4CCN(Cc5ccc(CC)cc5)CC4)nc3)c3c(C#N)cnn3c2)C1
• InChI: InChI=1S/C31H34N6O2.C30H35N9O.C30H30N8.C29H29F2N7/c1-4-21-5-7-22(8-6-21)16-36-25-11-26(36)18-35(17-25)29-10-9-23(14-33-29)28-12-27(39-20-31(2,3)38)19-37-30(28)24(13-32)15-34-37;1-35(2)25-8-9-38(20-25)26-14-27(30-24(15-31)18-34-39(30)21-26)23-5-6-28(32-17-23)37-12-10-36(11-13-37)19-22-4-7-29(40-3)33-16-22;1-3-22-4-6-23(7-5-22)18-35-10-12-36(13-11-35)29-9-8-24(16-33-29)28-14-27(37-19-26(20-37)32-2)21-38-30(28)25(15-31)17-34-38;1-2-21-3-5-22(6-4-21)17-35-9-11-36(12-10-35)27-8-7-23(15-33-27)26-13-25(37-19-29(30,31)20-37)18-38-28(26)24(14-32)16-34-38/h5-10,12,14-15,19,25-26,38H,4,11,16-18,20H2,1-3H3;4-7,14,16-18,21,25H,8-13,19-20H2,1-3H3;4-9,14,16-17,21,26H,3,10-13,18-20H2,1H3;3-8,13,15-16,18H,2,9-12,17,19-20H2,1H3
• InChIKey: FICKWRPZBDAQSJ-UHFFFAOYSA-N
• XLogP: 16.45
• TPSA: 310.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 32
• Rotatable Bonds: 27
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2076.55
LogP ≤ 5	16.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(3,3-difluoroazetidin-1-yl)-4-[6-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[3-(dimethylamino)pyrrolidin-1-yl]-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[(4-ethylphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(3-isocyanoazetidin-1-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 6-(3,3-difluoroazetidin-1-yl)-4-[6-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[3-(dimethylamino)pyrrolidin-1-yl]-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[(4-ethylphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(3-isocyanoazetidin-1-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 167566259) is 6-(3,3-difluoroazetidin-1-yl)-4-[6-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[3-(dimethylamino)pyrrolidin-1-yl]-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[(4-ethylphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(3-isocyanoazetidin-1-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

What is the SMILES notation for 6-(3,3-difluoroazetidin-1-yl)-4-[6-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[3-(dimethylamino)pyrrolidin-1-yl]-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[(4-ethylphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(3-isocyanoazetidin-1-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 6-(3,3-difluoroazetidin-1-yl)-4-[6-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[3-(dimethylamino)pyrrolidin-1-yl]-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[(4-ethylphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(3-isocyanoazetidin-1-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is CCc1ccc(CN2C3CC2CN(c2ccc(-c4cc(OCC(C)(C)O)cn5ncc(C#N)c45)cn2)C3)cc1.CCc1ccc(CN2CCN(c3ccc(-c4cc(N5CC(F)(F)C5)cn5ncc(C#N)c45)cn3)CC2)cc1.COc1ccc(CN2CCN(c3ccc(-c4cc(N5CCC(N(C)C)C5)cn5ncc(C#N)c45)cn3)CC2)cn1.[C-]#[N+]C1CN(c2cc(-c3ccc(N4CCN(Cc5ccc(CC)cc5)CC4)nc3)c3c(C#N)cnn3c2)C1.

What is the InChIKey of 6-(3,3-difluoroazetidin-1-yl)-4-[6-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[3-(dimethylamino)pyrrolidin-1-yl]-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[(4-ethylphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(3-isocyanoazetidin-1-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is FICKWRPZBDAQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N6O2.C30H35N9O.C30H30N8.C29H29F2N7/c1-4-21-5-7-22(8-6-21)16-36-25-11-26(36)18-35(17-25)29-10-9-23(14-33-29)28-12-27(39-20-31(2,3)38)19-37-30(28)24(13-32)15-34-37;1-35(2)25-8-9-38(20-25)26-14-27(30-24(15-31)18-34-39(30)21-26)23-5-6-28(32-17-23)37-12-10-36(11-13-37)19-22-4-7-29(40-3)33-16-22;1-3-22-4-6-23(7-5-22)18-35-10-12-36(13-11-35)29-9-8-24(16-33-29)28-14-27(37-19-26(20-37)32-2)21-38-30(28)25(15-31)17-34-38;1-2-21-3-5-22(6-4-21)17-35-9-11-36(12-10-35)27-8-7-23(15-33-27)26-13-25(37-19-29(30,31)20-37)18-38-28(26)24(14-32)16-34-38/h5-10,12,14-15,19,25-26,38H,4,11,16-18,20H2,1-3H3;4-7,14,16-18,21,25H,8-13,19-20H2,1-3H3;4-9,14,16-17,21,26H,3,10-13,18-20H2,1H3;3-8,13,15-16,18H,2,9-12,17,19-20H2,1H3.

What are the key properties of 6-(3,3-difluoroazetidin-1-yl)-4-[6-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[3-(dimethylamino)pyrrolidin-1-yl]-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[(4-ethylphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(3-isocyanoazetidin-1-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?

6-(3,3-difluoroazetidin-1-yl)-4-[6-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[3-(dimethylamino)pyrrolidin-1-yl]-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[(4-ethylphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(3-isocyanoazetidin-1-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 2076.55 g/mol, XLogP of 16.45, 27 rotatable bonds, 1 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(3,3-difluoroazetidin-1-yl)-4-[6-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[3-(dimethylamino)pyrrolidin-1-yl]-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[(4-ethylphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(3-isocyanoazetidin-1-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 167566259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).