6-(3,3-difluoropyrrolidin-1-yl)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3-fluoropyrrolidin-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-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile

C85H87F3N24O3 — CID 164991885

About 6-(3,3-difluoropyrrolidin-1-yl)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3-fluoropyrrolidin-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-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile

6-(3,3-difluoropyrrolidin-1-yl)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3-fluoropyrrolidin-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-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 164991885) has the molecular formula C85H87F3N24O3 and a molecular weight of 1549.79 g/mol. Its IUPAC name is 6-(3,3-difluoropyrrolidin-1-yl)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3-fluoropyrrolidin-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-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-(3,3-difluoropyrrolidin-1-yl)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3-fluoropyrrolidin-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-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 164991885
• Molecular Formula: C85H87F3N24O3
• Molecular Weight: 1549.79 g/mol
• Exact Mass: 1548.73
• IUPAC Name: 6-(3,3-difluoropyrrolidin-1-yl)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3-fluoropyrrolidin-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-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: COc1ccc(CN2C3CC2CN(c2ccc(-c4cc(N5CCCC5)cn5ncc(C#N)c45)cn2)C3)cn1.COc1ccc(CN2CCN(c3ccc(-c4cc(N5CCC(F)(F)C5)cn5ncc(C#N)c45)cn3)CC2)cn1.COc1ccc(CN2CCN(c3ccc(-c4cc(N5CCC(F)C5)cn5ncc(C#N)c45)cn3)CC2)cn1
• InChI: InChI=1S/C29H30N8O.C28H28F2N8O.C28H29FN8O/c1-38-28-7-4-20(13-32-28)16-36-24-10-25(36)18-35(17-24)27-6-5-21(14-31-27)26-11-23(34-8-2-3-9-34)19-37-29(26)22(12-30)15-33-37;1-39-26-5-2-20(14-33-26)17-35-8-10-36(11-9-35)25-4-3-21(15-32-25)24-12-23(37-7-6-28(29,30)19-37)18-38-27(24)22(13-31)16-34-38;1-38-27-5-2-20(14-32-27)17-34-8-10-35(11-9-34)26-4-3-21(15-31-26)25-12-24(36-7-6-23(29)18-36)19-37-28(25)22(13-30)16-33-37/h4-7,11,13-15,19,24-25H,2-3,8-10,16-18H2,1H3;2-5,12,14-16,18H,6-11,17,19H2,1H3;2-5,12,14-16,19,23H,6-11,17-18H2,1H3
• InChIKey: GYYXUZXLVNWGAA-UHFFFAOYSA-N
• XLogP: 11.12
• TPSA: 257.46 Ų
• H-Bond Acceptors: 27
• Rotatable Bonds: 18
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1549.79
LogP ≤ 5	11.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 6-(3,3-difluoropyrrolidin-1-yl)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3-fluoropyrrolidin-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-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 6-(3,3-difluoropyrrolidin-1-yl)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3-fluoropyrrolidin-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-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile (CID 164991885) is 6-(3,3-difluoropyrrolidin-1-yl)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3-fluoropyrrolidin-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-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile.

What is the SMILES notation for 6-(3,3-difluoropyrrolidin-1-yl)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3-fluoropyrrolidin-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-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 6-(3,3-difluoropyrrolidin-1-yl)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3-fluoropyrrolidin-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-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile is COc1ccc(CN2C3CC2CN(c2ccc(-c4cc(N5CCCC5)cn5ncc(C#N)c45)cn2)C3)cn1.COc1ccc(CN2CCN(c3ccc(-c4cc(N5CCC(F)(F)C5)cn5ncc(C#N)c45)cn3)CC2)cn1.COc1ccc(CN2CCN(c3ccc(-c4cc(N5CCC(F)C5)cn5ncc(C#N)c45)cn3)CC2)cn1.

What is the InChIKey of 6-(3,3-difluoropyrrolidin-1-yl)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3-fluoropyrrolidin-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-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is GYYXUZXLVNWGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N8O.C28H28F2N8O.C28H29FN8O/c1-38-28-7-4-20(13-32-28)16-36-24-10-25(36)18-35(17-24)27-6-5-21(14-31-27)26-11-23(34-8-2-3-9-34)19-37-29(26)22(12-30)15-33-37;1-39-26-5-2-20(14-33-26)17-35-8-10-36(11-9-35)25-4-3-21(15-32-25)24-12-23(37-7-6-28(29,30)19-37)18-38-27(24)22(13-31)16-34-38;1-38-27-5-2-20(14-32-27)17-34-8-10-35(11-9-34)26-4-3-21(15-31-26)25-12-24(36-7-6-23(29)18-36)19-37-28(25)22(13-30)16-33-37/h4-7,11,13-15,19,24-25H,2-3,8-10,16-18H2,1H3;2-5,12,14-16,18H,6-11,17,19H2,1H3;2-5,12,14-16,19,23H,6-11,17-18H2,1H3.

What are the key properties of 6-(3,3-difluoropyrrolidin-1-yl)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3-fluoropyrrolidin-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-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile?

6-(3,3-difluoropyrrolidin-1-yl)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3-fluoropyrrolidin-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-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 1549.79 g/mol, XLogP of 11.12, 18 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(3,3-difluoropyrrolidin-1-yl)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3-fluoropyrrolidin-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-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 164991885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).