4-[5-[4-[2-(2-chloro-6-methylphenyl)-2-oxoethyl]-4-methylpiperidin-1-yl]pyrazin-2-yl]-6-[(1-ethyl-3-fluoroazetidin-3-yl)methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile

C33H35ClFN7O2 — CID 148771378

About 4-[5-[4-[2-(2-chloro-6-methylphenyl)-2-oxoethyl]-4-methylpiperidin-1-yl]pyrazin-2-yl]-6-[(1-ethyl-3-fluoroazetidin-3-yl)methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile

4-[5-[4-[2-(2-chloro-6-methylphenyl)-2-oxoethyl]-4-methylpiperidin-1-yl]pyrazin-2-yl]-6-[(1-ethyl-3-fluoroazetidin-3-yl)methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 148771378) has the molecular formula C33H35ClFN7O2 and a molecular weight of 616.14 g/mol. Its IUPAC name is 4-[5-[4-[2-(2-chloro-6-methylphenyl)-2-oxoethyl]-4-methylpiperidin-1-yl]pyrazin-2-yl]-6-[(1-ethyl-3-fluoroazetidin-3-yl)methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 4-[5-[4-[2-(2-chloro-6-methylphenyl)-2-oxoethyl]-4-methylpiperidin-1-yl]pyrazin-2-yl]-6-[(1-ethyl-3-fluoroazetidin-3-yl)methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 148771378
• Molecular Formula: C33H35ClFN7O2
• Molecular Weight: 616.14 g/mol
• Exact Mass: 615.25
• IUPAC Name: 4-[5-[4-[2-(2-chloro-6-methylphenyl)-2-oxoethyl]-4-methylpiperidin-1-yl]pyrazin-2-yl]-6-[(1-ethyl-3-fluoroazetidin-3-yl)methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: CCN1CC(F)(COc2cc(-c3cnc(N4CCC(C)(CC(=O)c5c(C)cccc5Cl)CC4)cn3)c3c(C#N)cnn3c2)C1
• InChI: InChI=1S/C33H35ClFN7O2/c1-4-40-19-33(35,20-40)21-44-24-12-25(31-23(14-36)15-39-42(31)18-24)27-16-38-29(17-37-27)41-10-8-32(3,9-11-41)13-28(43)30-22(2)6-5-7-26(30)34/h5-7,12,15-18H,4,8-11,13,19-21H2,1-3H3
• InChIKey: OILZULRRTXWKBJ-UHFFFAOYSA-N
• XLogP: 5.93
• TPSA: 99.65 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	616.14
LogP ≤ 5	5.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-[5-[4-[2-(2-chloro-6-methylphenyl)-2-oxoethyl]-4-methylpiperidin-1-yl]pyrazin-2-yl]-6-[(1-ethyl-3-fluoroazetidin-3-yl)methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 4-[5-[4-[2-(2-chloro-6-methylphenyl)-2-oxoethyl]-4-methylpiperidin-1-yl]pyrazin-2-yl]-6-[(1-ethyl-3-fluoroazetidin-3-yl)methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 148771378) is 4-[5-[4-[2-(2-chloro-6-methylphenyl)-2-oxoethyl]-4-methylpiperidin-1-yl]pyrazin-2-yl]-6-[(1-ethyl-3-fluoroazetidin-3-yl)methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile.

What is the SMILES notation for 4-[5-[4-[2-(2-chloro-6-methylphenyl)-2-oxoethyl]-4-methylpiperidin-1-yl]pyrazin-2-yl]-6-[(1-ethyl-3-fluoroazetidin-3-yl)methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 4-[5-[4-[2-(2-chloro-6-methylphenyl)-2-oxoethyl]-4-methylpiperidin-1-yl]pyrazin-2-yl]-6-[(1-ethyl-3-fluoroazetidin-3-yl)methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile is CCN1CC(F)(COc2cc(-c3cnc(N4CCC(C)(CC(=O)c5c(C)cccc5Cl)CC4)cn3)c3c(C#N)cnn3c2)C1.

What is the InChIKey of 4-[5-[4-[2-(2-chloro-6-methylphenyl)-2-oxoethyl]-4-methylpiperidin-1-yl]pyrazin-2-yl]-6-[(1-ethyl-3-fluoroazetidin-3-yl)methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is OILZULRRTXWKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35ClFN7O2/c1-4-40-19-33(35,20-40)21-44-24-12-25(31-23(14-36)15-39-42(31)18-24)27-16-38-29(17-37-27)41-10-8-32(3,9-11-41)13-28(43)30-22(2)6-5-7-26(30)34/h5-7,12,15-18H,4,8-11,13,19-21H2,1-3H3.

What are the key properties of 4-[5-[4-[2-(2-chloro-6-methylphenyl)-2-oxoethyl]-4-methylpiperidin-1-yl]pyrazin-2-yl]-6-[(1-ethyl-3-fluoroazetidin-3-yl)methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile?

4-[5-[4-[2-(2-chloro-6-methylphenyl)-2-oxoethyl]-4-methylpiperidin-1-yl]pyrazin-2-yl]-6-[(1-ethyl-3-fluoroazetidin-3-yl)methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 616.14 g/mol, XLogP of 5.93, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-[4-[2-(2-chloro-6-methylphenyl)-2-oxoethyl]-4-methylpiperidin-1-yl]pyrazin-2-yl]-6-[(1-ethyl-3-fluoroazetidin-3-yl)methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 148771378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).