6-[(3S)-3-fluoropyrrolidin-1-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-[(3R)-3-hydroxypyrrolidin-1-yl]-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[(3S)-3-hydroxypyrrolidin-1-yl]-4-[5-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C84H87FN26O5 — CID 165020689

About 6-[(3S)-3-fluoropyrrolidin-1-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-[(3R)-3-hydroxypyrrolidin-1-yl]-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[(3S)-3-hydroxypyrrolidin-1-yl]-4-[5-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile

6-[(3S)-3-fluoropyrrolidin-1-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-[(3R)-3-hydroxypyrrolidin-1-yl]-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[(3S)-3-hydroxypyrrolidin-1-yl]-4-[5-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 165020689) has the molecular formula C84H87FN26O5 and a molecular weight of 1559.79 g/mol. Its IUPAC name is 6-[(3S)-3-fluoropyrrolidin-1-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-[(3R)-3-hydroxypyrrolidin-1-yl]-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[(3S)-3-hydroxypyrrolidin-1-yl]-4-[5-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-[(3S)-3-fluoropyrrolidin-1-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-[(3R)-3-hydroxypyrrolidin-1-yl]-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[(3S)-3-hydroxypyrrolidin-1-yl]-4-[5-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 165020689
• Molecular Formula: C84H87FN26O5
• Molecular Weight: 1559.79 g/mol
• Exact Mass: 1558.73
• IUPAC Name: 6-[(3S)-3-fluoropyrrolidin-1-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-[(3R)-3-hydroxypyrrolidin-1-yl]-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[(3S)-3-hydroxypyrrolidin-1-yl]-4-[5-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: COc1ccc(CN2C3CC2CN(c2ccc(-c4cc(N5CC[C@H](F)C5)cn5ncc(C#N)c45)cn2)C3)cn1.COc1ccc(CN2C3CC2CN(c2cnc(-c4cc(N5CC[C@@H](O)C5)cn5ncc(C#N)c45)cn2)C3)cn1.COc1ccc(CN2CCN(c3cnc(-c4cc(N5CC[C@H](O)C5)cn5ncc(C#N)c45)cn3)CC2)cn1
• InChI: InChI=1S/C29H29FN8O.C28H29N9O2.C27H29N9O2/c1-39-28-5-2-19(11-33-28)14-37-24-8-25(37)17-36(16-24)27-4-3-20(12-32-27)26-9-23(35-7-6-22(30)15-35)18-38-29(26)21(10-31)13-34-38;1-39-27-3-2-18(9-32-27)13-36-21-6-22(36)15-35(14-21)26-12-30-25(11-31-26)24-7-20(34-5-4-23(38)17-34)16-37-28(24)19(8-29)10-33-37;1-38-26-3-2-19(12-31-26)16-33-6-8-34(9-7-33)25-15-29-24(14-30-25)23-10-21(35-5-4-22(37)18-35)17-36-27(23)20(11-28)13-32-36/h2-5,9,11-13,18,22,24-25H,6-8,14-17H2,1H3;2-3,7,9-12,16,21-23,38H,4-6,13-15,17H2,1H3;2-3,10,12-15,17,22,37H,4-9,16,18H2,1H3/t22-,24?,25?;21?,22?,23-;22-/m010/s1
• InChIKey: LCMCCHPMJQNSHD-STVFBCGFSA-N
• XLogP: 7.74
• TPSA: 323.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 31
• Rotatable Bonds: 18
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1559.79
LogP ≤ 5	7.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 6-[(3S)-3-fluoropyrrolidin-1-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-[(3R)-3-hydroxypyrrolidin-1-yl]-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[(3S)-3-hydroxypyrrolidin-1-yl]-4-[5-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 6-[(3S)-3-fluoropyrrolidin-1-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-[(3R)-3-hydroxypyrrolidin-1-yl]-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[(3S)-3-hydroxypyrrolidin-1-yl]-4-[5-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 165020689) is 6-[(3S)-3-fluoropyrrolidin-1-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-[(3R)-3-hydroxypyrrolidin-1-yl]-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[(3S)-3-hydroxypyrrolidin-1-yl]-4-[5-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

What is the SMILES notation for 6-[(3S)-3-fluoropyrrolidin-1-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-[(3R)-3-hydroxypyrrolidin-1-yl]-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[(3S)-3-hydroxypyrrolidin-1-yl]-4-[5-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 6-[(3S)-3-fluoropyrrolidin-1-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-[(3R)-3-hydroxypyrrolidin-1-yl]-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[(3S)-3-hydroxypyrrolidin-1-yl]-4-[5-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile is COc1ccc(CN2C3CC2CN(c2ccc(-c4cc(N5CC[C@H](F)C5)cn5ncc(C#N)c45)cn2)C3)cn1.COc1ccc(CN2C3CC2CN(c2cnc(-c4cc(N5CC[C@@H](O)C5)cn5ncc(C#N)c45)cn2)C3)cn1.COc1ccc(CN2CCN(c3cnc(-c4cc(N5CC[C@H](O)C5)cn5ncc(C#N)c45)cn3)CC2)cn1.

What is the InChIKey of 6-[(3S)-3-fluoropyrrolidin-1-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-[(3R)-3-hydroxypyrrolidin-1-yl]-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[(3S)-3-hydroxypyrrolidin-1-yl]-4-[5-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is LCMCCHPMJQNSHD-STVFBCGFSA-N. The full InChI is InChI=1S/C29H29FN8O.C28H29N9O2.C27H29N9O2/c1-39-28-5-2-19(11-33-28)14-37-24-8-25(37)17-36(16-24)27-4-3-20(12-32-27)26-9-23(35-7-6-22(30)15-35)18-38-29(26)21(10-31)13-34-38;1-39-27-3-2-18(9-32-27)13-36-21-6-22(36)15-35(14-21)26-12-30-25(11-31-26)24-7-20(34-5-4-23(38)17-34)16-37-28(24)19(8-29)10-33-37;1-38-26-3-2-19(12-31-26)16-33-6-8-34(9-7-33)25-15-29-24(14-30-25)23-10-21(35-5-4-22(37)18-35)17-36-27(23)20(11-28)13-32-36/h2-5,9,11-13,18,22,24-25H,6-8,14-17H2,1H3;2-3,7,9-12,16,21-23,38H,4-6,13-15,17H2,1H3;2-3,10,12-15,17,22,37H,4-9,16,18H2,1H3/t22-,24?,25?;21?,22?,23-;22-/m010/s1.

What are the key properties of 6-[(3S)-3-fluoropyrrolidin-1-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-[(3R)-3-hydroxypyrrolidin-1-yl]-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[(3S)-3-hydroxypyrrolidin-1-yl]-4-[5-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

6-[(3S)-3-fluoropyrrolidin-1-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-[(3R)-3-hydroxypyrrolidin-1-yl]-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[(3S)-3-hydroxypyrrolidin-1-yl]-4-[5-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 1559.79 g/mol, XLogP of 7.74, 18 rotatable bonds, 2 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(3S)-3-fluoropyrrolidin-1-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-[(3R)-3-hydroxypyrrolidin-1-yl]-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[(3S)-3-hydroxypyrrolidin-1-yl]-4-[5-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 165020689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).