8-methoxy-6-[4-methyl-5-[4-(oxan-4-ylmethyl)piperidin-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine

C29H38N6O2 — CID 158237983

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

8-methoxy-6-[4-methyl-5-[4-(oxan-4-ylmethyl)piperidin-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 158237983) has the molecular formula C29H38N6O2 and a molecular weight of 502.66 g/mol. Its IUPAC name is 8-methoxy-6-[4-methyl-5-[4-(oxan-4-ylmethyl)piperidin-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

• Compound Name: 8-methoxy-6-[4-methyl-5-[4-(oxan-4-ylmethyl)piperidin-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine
• PubChem CID: 158237983
• Molecular Formula: C29H38N6O2
• Molecular Weight: 502.66 g/mol
• Exact Mass: 502.31
• IUPAC Name: 8-methoxy-6-[4-methyl-5-[4-(oxan-4-ylmethyl)piperidin-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine
• SMILES: COc1cc(-c2[nH]c3cnc(N4CCC(CC5CCOCC5)CC4)c(C)c3c2C(C)C)cn2ncnc12
• InChI: InChI=1S/C29H38N6O2/c1-18(2)25-26-19(3)28(34-9-5-20(6-10-34)13-21-7-11-37-12-8-21)30-15-23(26)33-27(25)22-14-24(36-4)29-31-17-32-35(29)16-22/h14-18,20-21,33H,5-13H2,1-4H3
• InChIKey: GFEWKFUBFFYZRH-UHFFFAOYSA-N
• XLogP: 5.75
• TPSA: 80.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	502.66
LogP ≤ 5	5.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 8-methoxy-6-[4-methyl-5-[4-(oxan-4-ylmethyl)piperidin-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine (CID 158237983) is 8-methoxy-6-[4-methyl-5-[4-(oxan-4-ylmethyl)piperidin-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine.

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

The canonical SMILES for 8-methoxy-6-[4-methyl-5-[4-(oxan-4-ylmethyl)piperidin-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine is COc1cc(-c2[nH]c3cnc(N4CCC(CC5CCOCC5)CC4)c(C)c3c2C(C)C)cn2ncnc12.

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

The InChIKey is GFEWKFUBFFYZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N6O2/c1-18(2)25-26-19(3)28(34-9-5-20(6-10-34)13-21-7-11-37-12-8-21)30-15-23(26)33-27(25)22-14-24(36-4)29-31-17-32-35(29)16-22/h14-18,20-21,33H,5-13H2,1-4H3.

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

8-methoxy-6-[4-methyl-5-[4-(oxan-4-ylmethyl)piperidin-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 502.66 g/mol, XLogP of 5.75, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 8-methoxy-6-[4-methyl-5-[4-(oxan-4-ylmethyl)piperidin-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 158237983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).