4-[5-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]pyrazin-2-yl]-6-[2-(3-oxa-6-azabicyclo[3.1.1]heptan-6-yl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile

C30H33N9O3 — CID 168837856

About 4-[5-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]pyrazin-2-yl]-6-[2-(3-oxa-6-azabicyclo[3.1.1]heptan-6-yl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile

4-[5-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]pyrazin-2-yl]-6-[2-(3-oxa-6-azabicyclo[3.1.1]heptan-6-yl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 168837856) has the molecular formula C30H33N9O3 and a molecular weight of 567.65 g/mol. Its IUPAC name is 4-[5-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]pyrazin-2-yl]-6-[2-(3-oxa-6-azabicyclo[3.1.1]heptan-6-yl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 4-[5-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]pyrazin-2-yl]-6-[2-(3-oxa-6-azabicyclo[3.1.1]heptan-6-yl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 168837856
• Molecular Formula: C30H33N9O3
• Molecular Weight: 567.65 g/mol
• Exact Mass: 567.27
• IUPAC Name: 4-[5-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]pyrazin-2-yl]-6-[2-(3-oxa-6-azabicyclo[3.1.1]heptan-6-yl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: COc1ccc(CN2CCN(c3cnc(-c4cc(OCCN5C6COCC5C6)cn5ncc(C#N)c45)cn3)CC2)cn1
• InChI: InChI=1S/C30H33N9O3/c1-40-29-3-2-21(13-34-29)17-36-4-6-37(7-5-36)28-16-32-27(15-33-28)26-11-25(18-39-30(26)22(12-31)14-35-39)42-9-8-38-23-10-24(38)20-41-19-23/h2-3,11,13-16,18,23-24H,4-10,17,19-20H2,1H3
• InChIKey: WKTAKBDJRYDBAL-UHFFFAOYSA-N
• XLogP: 2.24
• TPSA: 117.17 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	567.65
LogP ≤ 5	2.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

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

The IUPAC name of 4-[5-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]pyrazin-2-yl]-6-[2-(3-oxa-6-azabicyclo[3.1.1]heptan-6-yl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 168837856) is 4-[5-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]pyrazin-2-yl]-6-[2-(3-oxa-6-azabicyclo[3.1.1]heptan-6-yl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile.

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

The canonical SMILES for 4-[5-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]pyrazin-2-yl]-6-[2-(3-oxa-6-azabicyclo[3.1.1]heptan-6-yl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile is COc1ccc(CN2CCN(c3cnc(-c4cc(OCCN5C6COCC5C6)cn5ncc(C#N)c45)cn3)CC2)cn1.

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

The InChIKey is WKTAKBDJRYDBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N9O3/c1-40-29-3-2-21(13-34-29)17-36-4-6-37(7-5-36)28-16-32-27(15-33-28)26-11-25(18-39-30(26)22(12-31)14-35-39)42-9-8-38-23-10-24(38)20-41-19-23/h2-3,11,13-16,18,23-24H,4-10,17,19-20H2,1H3.

What are the key properties of 4-[5-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]pyrazin-2-yl]-6-[2-(3-oxa-6-azabicyclo[3.1.1]heptan-6-yl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile?

4-[5-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]pyrazin-2-yl]-6-[2-(3-oxa-6-azabicyclo[3.1.1]heptan-6-yl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 567.65 g/mol, XLogP of 2.24, 9 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]pyrazin-2-yl]-6-[2-(3-oxa-6-azabicyclo[3.1.1]heptan-6-yl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 168837856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).