8-methoxy-6-[5-[[1-(2-methylsulfonylethyl)piperidin-4-yl]methoxy]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine

C26H34N6O4S — CID 138686317

About 8-methoxy-6-[5-[[1-(2-methylsulfonylethyl)piperidin-4-yl]methoxy]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine

8-methoxy-6-[5-[[1-(2-methylsulfonylethyl)piperidin-4-yl]methoxy]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 138686317) has the molecular formula C26H34N6O4S and a molecular weight of 526.66 g/mol. Its IUPAC name is 8-methoxy-6-[5-[[1-(2-methylsulfonylethyl)piperidin-4-yl]methoxy]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

• Compound Name: 8-methoxy-6-[5-[[1-(2-methylsulfonylethyl)piperidin-4-yl]methoxy]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine
• PubChem CID: 138686317
• Molecular Formula: C26H34N6O4S
• Molecular Weight: 526.66 g/mol
• Exact Mass: 526.24
• IUPAC Name: 8-methoxy-6-[5-[[1-(2-methylsulfonylethyl)piperidin-4-yl]methoxy]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine
• SMILES: COc1cc(-c2[nH]c3ccc(OCC4CCN(CCS(C)(=O)=O)CC4)nc3c2C(C)C)cn2ncnc12
• InChI: InChI=1S/C26H34N6O4S/c1-17(2)23-24(19-13-21(35-3)26-27-16-28-32(26)14-19)29-20-5-6-22(30-25(20)23)36-15-18-7-9-31(10-8-18)11-12-37(4,33)34/h5-6,13-14,16-18,29H,7-12,15H2,1-4H3
• InChIKey: SBMJPSPZPXXQQZ-UHFFFAOYSA-N
• XLogP: 3.54
• TPSA: 114.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	526.66
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-6-[5-[[1-(2-methylsulfonylethyl)piperidin-4-yl]methoxy]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine?

The IUPAC name of 8-methoxy-6-[5-[[1-(2-methylsulfonylethyl)piperidin-4-yl]methoxy]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine (CID 138686317) is 8-methoxy-6-[5-[[1-(2-methylsulfonylethyl)piperidin-4-yl]methoxy]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine.

What is the SMILES notation for 8-methoxy-6-[5-[[1-(2-methylsulfonylethyl)piperidin-4-yl]methoxy]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine?

The canonical SMILES for 8-methoxy-6-[5-[[1-(2-methylsulfonylethyl)piperidin-4-yl]methoxy]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine is COc1cc(-c2[nH]c3ccc(OCC4CCN(CCS(C)(=O)=O)CC4)nc3c2C(C)C)cn2ncnc12.

What is the InChIKey of 8-methoxy-6-[5-[[1-(2-methylsulfonylethyl)piperidin-4-yl]methoxy]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine?

The InChIKey is SBMJPSPZPXXQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6O4S/c1-17(2)23-24(19-13-21(35-3)26-27-16-28-32(26)14-19)29-20-5-6-22(30-25(20)23)36-15-18-7-9-31(10-8-18)11-12-37(4,33)34/h5-6,13-14,16-18,29H,7-12,15H2,1-4H3.

What are the key properties of 8-methoxy-6-[5-[[1-(2-methylsulfonylethyl)piperidin-4-yl]methoxy]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine?

8-methoxy-6-[5-[[1-(2-methylsulfonylethyl)piperidin-4-yl]methoxy]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 526.66 g/mol, XLogP of 3.54, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 8-methoxy-6-[5-[[1-(2-methylsulfonylethyl)piperidin-4-yl]methoxy]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 138686317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).