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

C27H33N5O2 — CID 158704467

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

8-methoxy-6-[5-[3-[2-(3-methyloxetan-3-yl)ethyl]cyclobutyl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 158704467) has the molecular formula C27H33N5O2 and a molecular weight of 459.59 g/mol. Its IUPAC name is 8-methoxy-6-[5-[3-[2-(3-methyloxetan-3-yl)ethyl]cyclobutyl]-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-[3-[2-(3-methyloxetan-3-yl)ethyl]cyclobutyl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine
• PubChem CID: 158704467
• Molecular Formula: C27H33N5O2
• Molecular Weight: 459.59 g/mol
• Exact Mass: 459.26
• IUPAC Name: 8-methoxy-6-[5-[3-[2-(3-methyloxetan-3-yl)ethyl]cyclobutyl]-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(C4CC(CCC5(C)COC5)C4)nc3c2C(C)C)cn2ncnc12
• InChI: InChI=1S/C27H33N5O2/c1-16(2)23-24(19-11-22(33-4)26-28-15-29-32(26)12-19)31-21-6-5-20(30-25(21)23)18-9-17(10-18)7-8-27(3)13-34-14-27/h5-6,11-12,15-18,31H,7-10,13-14H2,1-4H3
• InChIKey: IHYFACGHTRCBCB-UHFFFAOYSA-N
• XLogP: 5.71
• TPSA: 77.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	459.59
LogP ≤ 5	5.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-6-[5-[3-[2-(3-methyloxetan-3-yl)ethyl]cyclobutyl]-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-[3-[2-(3-methyloxetan-3-yl)ethyl]cyclobutyl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine (CID 158704467) is 8-methoxy-6-[5-[3-[2-(3-methyloxetan-3-yl)ethyl]cyclobutyl]-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-[3-[2-(3-methyloxetan-3-yl)ethyl]cyclobutyl]-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-[3-[2-(3-methyloxetan-3-yl)ethyl]cyclobutyl]-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(C4CC(CCC5(C)COC5)C4)nc3c2C(C)C)cn2ncnc12.

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

The InChIKey is IHYFACGHTRCBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O2/c1-16(2)23-24(19-11-22(33-4)26-28-15-29-32(26)12-19)31-21-6-5-20(30-25(21)23)18-9-17(10-18)7-8-27(3)13-34-14-27/h5-6,11-12,15-18,31H,7-10,13-14H2,1-4H3.

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

8-methoxy-6-[5-[3-[2-(3-methyloxetan-3-yl)ethyl]cyclobutyl]-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 459.59 g/mol, XLogP of 5.71, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-methoxy-6-[5-[3-[2-(3-methyloxetan-3-yl)ethyl]cyclobutyl]-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 158704467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).