4-[6-[3-[(6-methoxy-3-pyridinyl)oxy]azetidin-1-yl]-3-pyridinyl]-6-[2-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile

C31H31N7O4 — CID 162353578

About 4-[6-[3-[(6-methoxy-3-pyridinyl)oxy]azetidin-1-yl]-3-pyridinyl]-6-[2-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile

4-[6-[3-[(6-methoxy-3-pyridinyl)oxy]azetidin-1-yl]-3-pyridinyl]-6-[2-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 162353578) has the molecular formula C31H31N7O4 and a molecular weight of 565.63 g/mol. Its IUPAC name is 4-[6-[3-[(6-methoxy-3-pyridinyl)oxy]azetidin-1-yl]-3-pyridinyl]-6-[2-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 4-[6-[3-[(6-methoxy-3-pyridinyl)oxy]azetidin-1-yl]-3-pyridinyl]-6-[2-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 162353578
• Molecular Formula: C31H31N7O4
• Molecular Weight: 565.63 g/mol
• Exact Mass: 565.24
• IUPAC Name: 4-[6-[3-[(6-methoxy-3-pyridinyl)oxy]azetidin-1-yl]-3-pyridinyl]-6-[2-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: COc1ccc(OC2CN(c3ccc(-c4cc(OCCN5C6CCC5CC(=O)C6)cn5ncc(C#N)c45)cn3)C2)cn1
• InChI: InChI=1S/C31H31N7O4/c1-40-30-7-5-25(16-34-30)42-27-17-36(18-27)29-6-2-20(14-33-29)28-12-26(19-38-31(28)21(13-32)15-35-38)41-9-8-37-22-3-4-23(37)11-24(39)10-22/h2,5-7,12,14-16,19,22-23,27H,3-4,8-11,17-18H2,1H3
• InChIKey: OBPMEWREZMSLEC-UHFFFAOYSA-N
• XLogP: 3.51
• TPSA: 118.11 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	565.63
LogP ≤ 5	3.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 4-[6-[3-[(6-methoxy-3-pyridinyl)oxy]azetidin-1-yl]-3-pyridinyl]-6-[2-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 4-[6-[3-[(6-methoxy-3-pyridinyl)oxy]azetidin-1-yl]-3-pyridinyl]-6-[2-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 162353578) is 4-[6-[3-[(6-methoxy-3-pyridinyl)oxy]azetidin-1-yl]-3-pyridinyl]-6-[2-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile.

What is the SMILES notation for 4-[6-[3-[(6-methoxy-3-pyridinyl)oxy]azetidin-1-yl]-3-pyridinyl]-6-[2-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 4-[6-[3-[(6-methoxy-3-pyridinyl)oxy]azetidin-1-yl]-3-pyridinyl]-6-[2-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile is COc1ccc(OC2CN(c3ccc(-c4cc(OCCN5C6CCC5CC(=O)C6)cn5ncc(C#N)c45)cn3)C2)cn1.

What is the InChIKey of 4-[6-[3-[(6-methoxy-3-pyridinyl)oxy]azetidin-1-yl]-3-pyridinyl]-6-[2-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is OBPMEWREZMSLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31N7O4/c1-40-30-7-5-25(16-34-30)42-27-17-36(18-27)29-6-2-20(14-33-29)28-12-26(19-38-31(28)21(13-32)15-35-38)41-9-8-37-22-3-4-23(37)11-24(39)10-22/h2,5-7,12,14-16,19,22-23,27H,3-4,8-11,17-18H2,1H3.

What are the key properties of 4-[6-[3-[(6-methoxy-3-pyridinyl)oxy]azetidin-1-yl]-3-pyridinyl]-6-[2-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile?

4-[6-[3-[(6-methoxy-3-pyridinyl)oxy]azetidin-1-yl]-3-pyridinyl]-6-[2-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 565.63 g/mol, XLogP of 3.51, 9 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-[3-[(6-methoxy-3-pyridinyl)oxy]azetidin-1-yl]-3-pyridinyl]-6-[2-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 162353578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).