4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-[2-(2-oxopyrrolidin-1-yl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile

C31H32N8O3 — CID 134435839

About 4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-[2-(2-oxopyrrolidin-1-yl)ethoxy]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-[2-(2-oxopyrrolidin-1-yl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 134435839) has the molecular formula C31H32N8O3 and a molecular weight of 564.65 g/mol. Its IUPAC name is 4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-[2-(2-oxopyrrolidin-1-yl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-[2-(2-oxopyrrolidin-1-yl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 134435839
• Molecular Formula: C31H32N8O3
• Molecular Weight: 564.65 g/mol
• Exact Mass: 564.26
• IUPAC Name: 4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-[2-(2-oxopyrrolidin-1-yl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: COc1ccc(CN2C3CC2CN(c2ccc(-c4cc(OCCN5CCCC5=O)cn5ncc(C#N)c45)cn2)C3)cn1
• InChI: InChI=1S/C31H32N8O3/c1-41-29-7-4-21(14-34-29)17-38-24-11-25(38)19-37(18-24)28-6-5-22(15-33-28)27-12-26(20-39-31(27)23(13-32)16-35-39)42-10-9-36-8-2-3-30(36)40/h4-7,12,14-16,20,24-25H,2-3,8-11,17-19H2,1H3
• InChIKey: UCGBTNJHMBNHBU-UHFFFAOYSA-N
• XLogP: 3.14
• TPSA: 112.12 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	564.65
LogP ≤ 5	3.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-[2-(2-oxopyrrolidin-1-yl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-[2-(2-oxopyrrolidin-1-yl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 134435839) is 4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-[2-(2-oxopyrrolidin-1-yl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile.

What is the SMILES notation for 4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-[2-(2-oxopyrrolidin-1-yl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-[2-(2-oxopyrrolidin-1-yl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile is COc1ccc(CN2C3CC2CN(c2ccc(-c4cc(OCCN5CCCC5=O)cn5ncc(C#N)c45)cn2)C3)cn1.

What is the InChIKey of 4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-[2-(2-oxopyrrolidin-1-yl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is UCGBTNJHMBNHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N8O3/c1-41-29-7-4-21(14-34-29)17-38-24-11-25(38)19-37(18-24)28-6-5-22(15-33-28)27-12-26(20-39-31(27)23(13-32)16-35-39)42-10-9-36-8-2-3-30(36)40/h4-7,12,14-16,20,24-25H,2-3,8-11,17-19H2,1H3.

What are the key properties of 4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-[2-(2-oxopyrrolidin-1-yl)ethoxy]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-[2-(2-oxopyrrolidin-1-yl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 564.65 g/mol, XLogP of 3.14, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-[2-(2-oxopyrrolidin-1-yl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 134435839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).