4-[6-[3-[(6-methoxy-3-pyridinyl)oxy]azetidin-1-yl]-3-pyridinyl]-6-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile

C29H29N7O4 — CID 162353646

About 4-[6-[3-[(6-methoxy-3-pyridinyl)oxy]azetidin-1-yl]-3-pyridinyl]-6-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile

4-[6-[3-[(6-methoxy-3-pyridinyl)oxy]azetidin-1-yl]-3-pyridinyl]-6-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 162353646) has the molecular formula C29H29N7O4 and a molecular weight of 539.60 g/mol. Its IUPAC name is 4-[6-[3-[(6-methoxy-3-pyridinyl)oxy]azetidin-1-yl]-3-pyridinyl]-6-[2-(2-oxa-6-azaspiro[3.3]heptan-6-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-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 162353646
• Molecular Formula: C29H29N7O4
• Molecular Weight: 539.60 g/mol
• Exact Mass: 539.23
• IUPAC Name: 4-[6-[3-[(6-methoxy-3-pyridinyl)oxy]azetidin-1-yl]-3-pyridinyl]-6-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: COc1ccc(OC2CN(c3ccc(-c4cc(OCCN5CC6(COC6)C5)cn5ncc(C#N)c45)cn3)C2)cn1
• InChI: InChI=1S/C29H29N7O4/c1-37-27-5-3-22(12-32-27)40-24-13-35(14-24)26-4-2-20(10-31-26)25-8-23(15-36-28(25)21(9-30)11-33-36)39-7-6-34-16-29(17-34)18-38-19-29/h2-5,8,10-12,15,24H,6-7,13-14,16-19H2,1H3
• InChIKey: MCQQNEUNEZKPII-UHFFFAOYSA-N
• XLogP: 2.65
• TPSA: 110.27 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	539.60
LogP ≤ 5	2.65
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-(2-oxa-6-azaspiro[3.3]heptan-6-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-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 162353646) is 4-[6-[3-[(6-methoxy-3-pyridinyl)oxy]azetidin-1-yl]-3-pyridinyl]-6-[2-(2-oxa-6-azaspiro[3.3]heptan-6-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-(2-oxa-6-azaspiro[3.3]heptan-6-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-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile is COc1ccc(OC2CN(c3ccc(-c4cc(OCCN5CC6(COC6)C5)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-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is MCQQNEUNEZKPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N7O4/c1-37-27-5-3-22(12-32-27)40-24-13-35(14-24)26-4-2-20(10-31-26)25-8-23(15-36-28(25)21(9-30)11-33-36)39-7-6-34-16-29(17-34)18-38-19-29/h2-5,8,10-12,15,24H,6-7,13-14,16-19H2,1H3.

What are the key properties of 4-[6-[3-[(6-methoxy-3-pyridinyl)oxy]azetidin-1-yl]-3-pyridinyl]-6-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile?

4-[6-[3-[(6-methoxy-3-pyridinyl)oxy]azetidin-1-yl]-3-pyridinyl]-6-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 539.60 g/mol, XLogP of 2.65, 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-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 162353646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).