6-[5-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]pyrazin-2-yl]-1H-indole

C20H22N4O — CID 25068504

IUPAC6-[5-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]pyrazin-2-yl]-1H-indole
SMILESCN1C2CCC1CC(Oc1cnc(-c3ccc4cc[nH]c4c3)cn1)C2
InChIInChI=1S/C20H22N4O/c1-24-15-4-5-16(24)10-17(9-15)25-20-12-22-19(11-23-20)14-3-2-13-6-7-21-18(13)8-14/h2-3,6-8,11-12,15-17,21H,4-5,9-10H2,1H3
InChIKeyLHTNKKSUEMAUDN-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.63
Rot. Bonds3

About 6-[5-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]pyrazin-2-yl]-1H-indole

6-[5-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]pyrazin-2-yl]-1H-indole (PubChem CID 25068504) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 6-[5-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]pyrazin-2-yl]-1H-indole.

Molecular Properties

Compound Name6-[5-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]pyrazin-2-yl]-1H-indole
PubChem CID25068504
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name6-[5-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]pyrazin-2-yl]-1H-indole
SMILESCN1C2CCC1CC(Oc1cnc(-c3ccc4cc[nH]c4c3)cn1)C2
InChIInChI=1S/C20H22N4O/c1-24-15-4-5-16(24)10-17(9-15)25-20-12-22-19(11-23-20)14-3-2-13-6-7-21-18(13)8-14/h2-3,6-8,11-12,15-17,21H,4-5,9-10H2,1H3
InChIKeyLHTNKKSUEMAUDN-UHFFFAOYSA-N
XLogP3.63
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[5-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]pyrazin-2-yl]-1H-indole?
The IUPAC name of 6-[5-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]pyrazin-2-yl]-1H-indole (CID 25068504) is 6-[5-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]pyrazin-2-yl]-1H-indole.
What is the SMILES notation for 6-[5-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]pyrazin-2-yl]-1H-indole?
The canonical SMILES for 6-[5-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]pyrazin-2-yl]-1H-indole is CN1C2CCC1CC(Oc1cnc(-c3ccc4cc[nH]c4c3)cn1)C2.
What is the InChIKey of 6-[5-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]pyrazin-2-yl]-1H-indole?
The InChIKey is LHTNKKSUEMAUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-24-15-4-5-16(24)10-17(9-15)25-20-12-22-19(11-23-20)14-3-2-13-6-7-21-18(13)8-14/h2-3,6-8,11-12,15-17,21H,4-5,9-10H2,1H3.
What are the key properties of 6-[5-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]pyrazin-2-yl]-1H-indole?
6-[5-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]pyrazin-2-yl]-1H-indole has a molecular weight of 334.42 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]pyrazin-2-yl]-1H-indole is sourced from PubChem (CID 25068504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).