6-[1,4-dimethyl-6-[(2R)-2-(2-methylpropyl)-1-piperidin-4-ylpiperidin-4-yl]benzimidazol-2-yl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine

C30H41N7O — CID 175694397

About 6-[1,4-dimethyl-6-[(2R)-2-(2-methylpropyl)-1-piperidin-4-ylpiperidin-4-yl]benzimidazol-2-yl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine

6-[1,4-dimethyl-6-[(2R)-2-(2-methylpropyl)-1-piperidin-4-ylpiperidin-4-yl]benzimidazol-2-yl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 175694397) has the molecular formula C30H41N7O and a molecular weight of 515.71 g/mol. Its IUPAC name is 6-[1,4-dimethyl-6-[(2R)-2-(2-methylpropyl)-1-piperidin-4-ylpiperidin-4-yl]benzimidazol-2-yl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

• Compound Name: 6-[1,4-dimethyl-6-[(2R)-2-(2-methylpropyl)-1-piperidin-4-ylpiperidin-4-yl]benzimidazol-2-yl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine
• PubChem CID: 175694397
• Molecular Formula: C30H41N7O
• Molecular Weight: 515.71 g/mol
• Exact Mass: 515.34
• IUPAC Name: 6-[1,4-dimethyl-6-[(2R)-2-(2-methylpropyl)-1-piperidin-4-ylpiperidin-4-yl]benzimidazol-2-yl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine
• SMILES: COc1cc(-c2nc3c(C)cc(C4CCN(C5CCNCC5)[C@H](CC(C)C)C4)cc3n2C)cn2ncnc12
• InChI: InChI=1S/C30H41N7O/c1-19(2)12-25-14-21(8-11-36(25)24-6-9-31-10-7-24)22-13-20(3)28-26(15-22)35(4)29(34-28)23-16-27(38-5)30-32-18-33-37(30)17-23/h13,15-19,21,24-25,31H,6-12,14H2,1-5H3/t21?,25-/m1/s1
• InChIKey: STRFSEKIASPSID-UIDYPRJRSA-N
• XLogP: 4.95
• TPSA: 72.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	515.71
LogP ≤ 5	4.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-[1,4-dimethyl-6-[(2R)-2-(2-methylpropyl)-1-piperidin-4-ylpiperidin-4-yl]benzimidazol-2-yl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine?

The IUPAC name of 6-[1,4-dimethyl-6-[(2R)-2-(2-methylpropyl)-1-piperidin-4-ylpiperidin-4-yl]benzimidazol-2-yl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine (CID 175694397) is 6-[1,4-dimethyl-6-[(2R)-2-(2-methylpropyl)-1-piperidin-4-ylpiperidin-4-yl]benzimidazol-2-yl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine.

What is the SMILES notation for 6-[1,4-dimethyl-6-[(2R)-2-(2-methylpropyl)-1-piperidin-4-ylpiperidin-4-yl]benzimidazol-2-yl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine?

The canonical SMILES for 6-[1,4-dimethyl-6-[(2R)-2-(2-methylpropyl)-1-piperidin-4-ylpiperidin-4-yl]benzimidazol-2-yl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine is COc1cc(-c2nc3c(C)cc(C4CCN(C5CCNCC5)[C@H](CC(C)C)C4)cc3n2C)cn2ncnc12.

What is the InChIKey of 6-[1,4-dimethyl-6-[(2R)-2-(2-methylpropyl)-1-piperidin-4-ylpiperidin-4-yl]benzimidazol-2-yl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine?

The InChIKey is STRFSEKIASPSID-UIDYPRJRSA-N. The full InChI is InChI=1S/C30H41N7O/c1-19(2)12-25-14-21(8-11-36(25)24-6-9-31-10-7-24)22-13-20(3)28-26(15-22)35(4)29(34-28)23-16-27(38-5)30-32-18-33-37(30)17-23/h13,15-19,21,24-25,31H,6-12,14H2,1-5H3/t21?,25-/m1/s1.

What are the key properties of 6-[1,4-dimethyl-6-[(2R)-2-(2-methylpropyl)-1-piperidin-4-ylpiperidin-4-yl]benzimidazol-2-yl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine?

6-[1,4-dimethyl-6-[(2R)-2-(2-methylpropyl)-1-piperidin-4-ylpiperidin-4-yl]benzimidazol-2-yl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 515.71 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[1,4-dimethyl-6-[(2R)-2-(2-methylpropyl)-1-piperidin-4-ylpiperidin-4-yl]benzimidazol-2-yl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 175694397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).