6-(3-hydroxy-3-methylpyrrolidin-1-yl)-4-[[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C31H34N8O2 — CID 166966736

About 6-(3-hydroxy-3-methylpyrrolidin-1-yl)-4-[[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

6-(3-hydroxy-3-methylpyrrolidin-1-yl)-4-[[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 166966736) has the molecular formula C31H34N8O2 and a molecular weight of 550.67 g/mol. Its IUPAC name is 6-(3-hydroxy-3-methylpyrrolidin-1-yl)-4-[[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-(3-hydroxy-3-methylpyrrolidin-1-yl)-4-[[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 166966736
• Molecular Formula: C31H34N8O2
• Molecular Weight: 550.67 g/mol
• Exact Mass: 550.28
• IUPAC Name: 6-(3-hydroxy-3-methylpyrrolidin-1-yl)-4-[[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: COc1ccc(CN2C3CC2CN(c2ccc(Cc4cc(N5CCC(C)(O)C5)cn5ncc(C#N)c45)cn2)C3)cn1
• InChI: InChI=1S/C31H34N8O2/c1-31(40)7-8-36(20-31)25-10-23(30-24(12-32)15-35-39(30)19-25)9-21-3-5-28(33-13-21)37-17-26-11-27(18-37)38(26)16-22-4-6-29(41-2)34-14-22/h3-6,10,13-15,19,26-27,40H,7-9,11,16-18,20H2,1-2H3
• InChIKey: SQENTDORRSJBFF-UHFFFAOYSA-N
• XLogP: 3.02
• TPSA: 106.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	550.67
LogP ≤ 5	3.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 6-(3-hydroxy-3-methylpyrrolidin-1-yl)-4-[[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 6-(3-hydroxy-3-methylpyrrolidin-1-yl)-4-[[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 166966736) is 6-(3-hydroxy-3-methylpyrrolidin-1-yl)-4-[[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

What is the SMILES notation for 6-(3-hydroxy-3-methylpyrrolidin-1-yl)-4-[[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 6-(3-hydroxy-3-methylpyrrolidin-1-yl)-4-[[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is COc1ccc(CN2C3CC2CN(c2ccc(Cc4cc(N5CCC(C)(O)C5)cn5ncc(C#N)c45)cn2)C3)cn1.

What is the InChIKey of 6-(3-hydroxy-3-methylpyrrolidin-1-yl)-4-[[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is SQENTDORRSJBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N8O2/c1-31(40)7-8-36(20-31)25-10-23(30-24(12-32)15-35-39(30)19-25)9-21-3-5-28(33-13-21)37-17-26-11-27(18-37)38(26)16-22-4-6-29(41-2)34-14-22/h3-6,10,13-15,19,26-27,40H,7-9,11,16-18,20H2,1-2H3.

What are the key properties of 6-(3-hydroxy-3-methylpyrrolidin-1-yl)-4-[[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

6-(3-hydroxy-3-methylpyrrolidin-1-yl)-4-[[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 550.67 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(3-hydroxy-3-methylpyrrolidin-1-yl)-4-[[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 166966736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).