4-[5-[4-[2-(2-chloro-6-methylphenyl)-2-oxoethyl]-4-methylpiperidin-1-yl]pyrazin-2-yl]-6-[[(2S)-4-ethylmorpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile;sulfane

C34H40ClN7O3S — CID 159713310

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

4-[5-[4-[2-(2-chloro-6-methylphenyl)-2-oxoethyl]-4-methylpiperidin-1-yl]pyrazin-2-yl]-6-[[(2S)-4-ethylmorpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile;sulfane (PubChem CID 159713310) has the molecular formula C34H40ClN7O3S and a molecular weight of 662.26 g/mol. Its IUPAC name is 4-[5-[4-[2-(2-chloro-6-methylphenyl)-2-oxoethyl]-4-methylpiperidin-1-yl]pyrazin-2-yl]-6-[[(2S)-4-ethylmorpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile;sulfane.

Molecular Properties

• Compound Name: 4-[5-[4-[2-(2-chloro-6-methylphenyl)-2-oxoethyl]-4-methylpiperidin-1-yl]pyrazin-2-yl]-6-[[(2S)-4-ethylmorpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile;sulfane
• PubChem CID: 159713310
• Molecular Formula: C34H40ClN7O3S
• Molecular Weight: 662.26 g/mol
• Exact Mass: 661.26
• IUPAC Name: 4-[5-[4-[2-(2-chloro-6-methylphenyl)-2-oxoethyl]-4-methylpiperidin-1-yl]pyrazin-2-yl]-6-[[(2S)-4-ethylmorpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile;sulfane
• SMILES: CCN1CCO[C@H](COc2cc(-c3cnc(N4CCC(C)(CC(=O)c5c(C)cccc5Cl)CC4)cn3)c3c(C#N)cnn3c2)C1.S
• InChI: InChI=1S/C34H38ClN7O3.H2S/c1-4-40-12-13-44-26(20-40)22-45-25-14-27(33-24(16-36)17-39-42(33)21-25)29-18-38-31(19-37-29)41-10-8-34(3,9-11-41)15-30(43)32-23(2)6-5-7-28(32)35;/h5-7,14,17-19,21,26H,4,8-13,15,20,22H2,1-3H3;1H2/t26-;/m0./s1
• InChIKey: MZCQDKCQBNBFBM-SNYZSRNZSA-N
• XLogP: 5.72
• TPSA: 108.88 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	662.26
LogP ≤ 5	5.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

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-[[(2S)-4-ethylmorpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile;sulfane?

The IUPAC name of 4-[5-[4-[2-(2-chloro-6-methylphenyl)-2-oxoethyl]-4-methylpiperidin-1-yl]pyrazin-2-yl]-6-[[(2S)-4-ethylmorpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile;sulfane (CID 159713310) is 4-[5-[4-[2-(2-chloro-6-methylphenyl)-2-oxoethyl]-4-methylpiperidin-1-yl]pyrazin-2-yl]-6-[[(2S)-4-ethylmorpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile;sulfane.

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

The canonical SMILES for 4-[5-[4-[2-(2-chloro-6-methylphenyl)-2-oxoethyl]-4-methylpiperidin-1-yl]pyrazin-2-yl]-6-[[(2S)-4-ethylmorpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile;sulfane is CCN1CCO[C@H](COc2cc(-c3cnc(N4CCC(C)(CC(=O)c5c(C)cccc5Cl)CC4)cn3)c3c(C#N)cnn3c2)C1.S.

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

The InChIKey is MZCQDKCQBNBFBM-SNYZSRNZSA-N. The full InChI is InChI=1S/C34H38ClN7O3.H2S/c1-4-40-12-13-44-26(20-40)22-45-25-14-27(33-24(16-36)17-39-42(33)21-25)29-18-38-31(19-37-29)41-10-8-34(3,9-11-41)15-30(43)32-23(2)6-5-7-28(32)35;/h5-7,14,17-19,21,26H,4,8-13,15,20,22H2,1-3H3;1H2/t26-;/m0./s1.

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

4-[5-[4-[2-(2-chloro-6-methylphenyl)-2-oxoethyl]-4-methylpiperidin-1-yl]pyrazin-2-yl]-6-[[(2S)-4-ethylmorpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile;sulfane has a molecular weight of 662.26 g/mol, XLogP of 5.72, 9 rotatable bonds, 0 hydrogen bond donors, and 10 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-[[(2S)-4-ethylmorpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile;sulfane is sourced from PubChem (CID 159713310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).