5-[(8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole

C19H18N6O2 — CID 25296773

IUPAC5-[(8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole
SMILESCOc1ccc2[nH]c3c(c2c1)CN(Cc1nc(-c2cnccn2)no1)CC3
InChIInChI=1S/C19H18N6O2/c1-26-12-2-3-15-13(8-12)14-10-25(7-4-16(14)22-15)11-18-23-19(24-27-18)17-9-20-5-6-21-17/h2-3,5-6,8-9,22H,4,7,10-11H2,1H3
InChIKeyGSZSZPROWPPFSE-UHFFFAOYSA-N
MW362.39 g/mol
LogP2.57
Rot. Bonds4

About 5-[(8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole

5-[(8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole (PubChem CID 25296773) has the molecular formula C19H18N6O2 and a molecular weight of 362.39 g/mol. Its IUPAC name is 5-[(8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole
PubChem CID25296773
Molecular FormulaC19H18N6O2
Molecular Weight362.39 g/mol
Exact Mass362.15
IUPAC Name5-[(8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole
SMILESCOc1ccc2[nH]c3c(c2c1)CN(Cc1nc(-c2cnccn2)no1)CC3
InChIInChI=1S/C19H18N6O2/c1-26-12-2-3-15-13(8-12)14-10-25(7-4-16(14)22-15)11-18-23-19(24-27-18)17-9-20-5-6-21-17/h2-3,5-6,8-9,22H,4,7,10-11H2,1H3
InChIKeyGSZSZPROWPPFSE-UHFFFAOYSA-N
XLogP2.57
TPSA92.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

5-[(8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methyl]-3-methyl-1,2-oxazole
CID 77080360
3-pyrazin-2-yl-5-[(4-pyridin-4-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
CID 42521587
8-ethoxy-2-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 16673120
5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 29483164
[6-(8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-methylpyrimidin-4-yl]methanamine
CID 56702975
2-[3-(2,3-dihydro-1H-indol-7-yl)propyl]-8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 177310182
1-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-amine
CID 110277887
3-pyrazin-2-yl-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 86805292
2-[(3-methoxyphenyl)methyl]-8-methyl-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-10-one
CID 46385152
1-(8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-3-(oxolan-2-yl)propan-1-one
CID 46970816
8-methoxy-2-(9-methylpurin-2-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 163307818
12-benzyl-4-(3-methoxyphenyl)-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene
CID 18955582

Frequently Asked Questions

What is the IUPAC name of 5-[(8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[(8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole (CID 25296773) is 5-[(8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole is COc1ccc2[nH]c3c(c2c1)CN(Cc1nc(-c2cnccn2)no1)CC3.
What is the InChIKey of 5-[(8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole?
The InChIKey is GSZSZPROWPPFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O2/c1-26-12-2-3-15-13(8-12)14-10-25(7-4-16(14)22-15)11-18-23-19(24-27-18)17-9-20-5-6-21-17/h2-3,5-6,8-9,22H,4,7,10-11H2,1H3.
What are the key properties of 5-[(8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole?
5-[(8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole has a molecular weight of 362.39 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 25296773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).