5-methoxy-2-methyl-1-benzothiophene;5-methoxy-2-methyl-1H-indole;6-methoxy-2-methylthieno[2,3-b]pyridine;6-methoxy-2-methylthieno[3,2-b]pyridine

C38H39N3O4S3 — CID 158305926

IUPAC5-methoxy-2-methyl-1-benzothiophene;5-methoxy-2-methyl-1H-indole;6-methoxy-2-methylthieno[2,3-b]pyridine;6-methoxy-2-methylthieno[3,2-b]pyridine
SMILESCOc1ccc2[nH]c(C)cc2c1.COc1ccc2cc(C)sc2n1.COc1ccc2sc(C)cc2c1.COc1cnc2cc(C)sc2c1
InChIInChI=1S/C10H11NO.C10H10OS.2C9H9NOS/c1-7-5-8-6-9(12-2)3-4-10(8)11-7;1-7-5-8-6-9(11-2)3-4-10(8)12-7;1-6-3-8-9(12-6)4-7(11-2)5-10-8;1-6-5-7-3-4-8(11-2)10-9(7)12-6/h3-6,11H,1-2H3;3-6H,1-2H3;2*3-5H,1-2H3
InChIKeyGNBQTDBCQUEDQI-UHFFFAOYSA-N
MW697.95 g/mol
LogP10.93
Rot. Bonds4

About 5-methoxy-2-methyl-1-benzothiophene;5-methoxy-2-methyl-1H-indole;6-methoxy-2-methylthieno[2,3-b]pyridine;6-methoxy-2-methylthieno[3,2-b]pyridine

5-methoxy-2-methyl-1-benzothiophene;5-methoxy-2-methyl-1H-indole;6-methoxy-2-methylthieno[2,3-b]pyridine;6-methoxy-2-methylthieno[3,2-b]pyridine (PubChem CID 158305926) has the molecular formula C38H39N3O4S3 and a molecular weight of 697.95 g/mol. Its IUPAC name is 5-methoxy-2-methyl-1-benzothiophene;5-methoxy-2-methyl-1H-indole;6-methoxy-2-methylthieno[2,3-b]pyridine;6-methoxy-2-methylthieno[3,2-b]pyridine.

Molecular Properties

Compound Name5-methoxy-2-methyl-1-benzothiophene;5-methoxy-2-methyl-1H-indole;6-methoxy-2-methylthieno[2,3-b]pyridine;6-methoxy-2-methylthieno[3,2-b]pyridine
PubChem CID158305926
Molecular FormulaC38H39N3O4S3
Molecular Weight697.95 g/mol
Exact Mass697.21
IUPAC Name5-methoxy-2-methyl-1-benzothiophene;5-methoxy-2-methyl-1H-indole;6-methoxy-2-methylthieno[2,3-b]pyridine;6-methoxy-2-methylthieno[3,2-b]pyridine
SMILESCOc1ccc2[nH]c(C)cc2c1.COc1ccc2cc(C)sc2n1.COc1ccc2sc(C)cc2c1.COc1cnc2cc(C)sc2c1
InChIInChI=1S/C10H11NO.C10H10OS.2C9H9NOS/c1-7-5-8-6-9(12-2)3-4-10(8)11-7;1-7-5-8-6-9(11-2)3-4-10(8)12-7;1-6-3-8-9(12-6)4-7(11-2)5-10-8;1-6-5-7-3-4-8(11-2)10-9(7)12-6/h3-6,11H,1-2H3;3-6H,1-2H3;2*3-5H,1-2H3
InChIKeyGNBQTDBCQUEDQI-UHFFFAOYSA-N
XLogP10.93
TPSA78.49 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500697.95
LogP ≤ 510.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 5-methoxy-2-methyl-1-benzothiophene;5-methoxy-2-methyl-1H-indole;6-methoxy-2-methylthieno[2,3-b]pyridine;6-methoxy-2-methylthieno[3,2-b]pyridine with MolForge

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Launch Full Analysis

Related Compounds

3-[(2S)-2-amino-3-[(5-{thieno[2,3-c]pyridin-2-yl}pyridin-3-yl)oxy]propyl]-1H-indole
CID 10216158
N-[(2S)-1-(1H-indol-3-yl)-3-[(5-thieno[2,3-c]pyridin-2-yl-3-pyridinyl)oxy]propan-2-yl]thieno[2,3-c]pyridin-2-amine
CID 44412808
N-[(2S)-1-(1H-indol-3-yl)-3-[(5-thieno[3,2-c]pyridin-2-yl-3-pyridinyl)oxy]propan-2-yl]thieno[3,2-c]pyridin-2-amine
CID 44412822
5-methoxy-2-[5-(5-methoxy-1H-indol-3-yl)thiophen-2-yl]-1H-indole
CID 44438828
1-(1H-indol-3-yl)-3-[(5-thieno[2,3-c]pyridin-2-yl-3-pyridinyl)oxy]propan-2-amine
CID 22607792
3,5-Diylbis(5-methoxy-1H-indole)
CID 16739281
2-(5-methoxy-1H-indol-3-yl)-4-thiophen-3-yl-1,3-thiazole
CID 155813904
2-{2-[7-(2-Methyl-1H-indol-5-yloxy)-thieno[3,2-b]pyridin-2-yl]-thiazol-4-yl}-propan-2-ol
CID 10202393
2-[4-(5-Methoxy-3-indolyl)butyl]-1,2,3,4-tetrahydrobenzothieno[2,3-c]pyridine
CID 21243237
2-[2-[7-(1H-indol-5-yloxy)-1-benzothiophen-2-yl]-1,3-thiazol-5-yl]propan-2-ol
CID 22603668
2-[2-[7-[(2-methyl-1H-indol-5-yl)oxy]-1-benzothiophen-2-yl]-1,3-thiazol-5-yl]propan-2-ol
CID 22603681
2-[3-(2-Piperidin-1-yl-ethyl)-1H-indol-5-yloxy]-benzothiazole
CID 49833164

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-methyl-1-benzothiophene;5-methoxy-2-methyl-1H-indole;6-methoxy-2-methylthieno[2,3-b]pyridine;6-methoxy-2-methylthieno[3,2-b]pyridine?
The IUPAC name of 5-methoxy-2-methyl-1-benzothiophene;5-methoxy-2-methyl-1H-indole;6-methoxy-2-methylthieno[2,3-b]pyridine;6-methoxy-2-methylthieno[3,2-b]pyridine (CID 158305926) is 5-methoxy-2-methyl-1-benzothiophene;5-methoxy-2-methyl-1H-indole;6-methoxy-2-methylthieno[2,3-b]pyridine;6-methoxy-2-methylthieno[3,2-b]pyridine.
What is the SMILES notation for 5-methoxy-2-methyl-1-benzothiophene;5-methoxy-2-methyl-1H-indole;6-methoxy-2-methylthieno[2,3-b]pyridine;6-methoxy-2-methylthieno[3,2-b]pyridine?
The canonical SMILES for 5-methoxy-2-methyl-1-benzothiophene;5-methoxy-2-methyl-1H-indole;6-methoxy-2-methylthieno[2,3-b]pyridine;6-methoxy-2-methylthieno[3,2-b]pyridine is COc1ccc2[nH]c(C)cc2c1.COc1ccc2cc(C)sc2n1.COc1ccc2sc(C)cc2c1.COc1cnc2cc(C)sc2c1.
What is the InChIKey of 5-methoxy-2-methyl-1-benzothiophene;5-methoxy-2-methyl-1H-indole;6-methoxy-2-methylthieno[2,3-b]pyridine;6-methoxy-2-methylthieno[3,2-b]pyridine?
The InChIKey is GNBQTDBCQUEDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO.C10H10OS.2C9H9NOS/c1-7-5-8-6-9(12-2)3-4-10(8)11-7;1-7-5-8-6-9(11-2)3-4-10(8)12-7;1-6-3-8-9(12-6)4-7(11-2)5-10-8;1-6-5-7-3-4-8(11-2)10-9(7)12-6/h3-6,11H,1-2H3;3-6H,1-2H3;2*3-5H,1-2H3.
What are the key properties of 5-methoxy-2-methyl-1-benzothiophene;5-methoxy-2-methyl-1H-indole;6-methoxy-2-methylthieno[2,3-b]pyridine;6-methoxy-2-methylthieno[3,2-b]pyridine?
5-methoxy-2-methyl-1-benzothiophene;5-methoxy-2-methyl-1H-indole;6-methoxy-2-methylthieno[2,3-b]pyridine;6-methoxy-2-methylthieno[3,2-b]pyridine has a molecular weight of 697.95 g/mol, XLogP of 10.93, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-methyl-1-benzothiophene;5-methoxy-2-methyl-1H-indole;6-methoxy-2-methylthieno[2,3-b]pyridine;6-methoxy-2-methylthieno[3,2-b]pyridine is sourced from PubChem (CID 158305926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).