7-methoxy-1-[(1-methylpiperidin-3-yl)methyl]-3-(5-thiophen-3-yl-2-pyridinyl)indole

C25H27N3OS — CID 54495639

IUPAC7-methoxy-1-[(1-methylpiperidin-3-yl)methyl]-3-(5-thiophen-3-yl-2-pyridinyl)indole
SMILESCOc1cccc2c(-c3ccc(-c4ccsc4)cn3)cn(CC3CCCN(C)C3)c12
InChIInChI=1S/C25H27N3OS/c1-27-11-4-5-18(14-27)15-28-16-22(21-6-3-7-24(29-2)25(21)28)23-9-8-19(13-26-23)20-10-12-30-17-20/h3,6-10,12-13,16-18H,4-5,11,14-15H2,1-2H3
InChIKeyXYWLODFDYJGEKR-UHFFFAOYSA-N
MW417.58 g/mol
LogP5.78
Rot. Bonds5

About 7-methoxy-1-[(1-methylpiperidin-3-yl)methyl]-3-(5-thiophen-3-yl-2-pyridinyl)indole

7-methoxy-1-[(1-methylpiperidin-3-yl)methyl]-3-(5-thiophen-3-yl-2-pyridinyl)indole (PubChem CID 54495639) has the molecular formula C25H27N3OS and a molecular weight of 417.58 g/mol. Its IUPAC name is 7-methoxy-1-[(1-methylpiperidin-3-yl)methyl]-3-(5-thiophen-3-yl-2-pyridinyl)indole.

Molecular Properties

Compound Name7-methoxy-1-[(1-methylpiperidin-3-yl)methyl]-3-(5-thiophen-3-yl-2-pyridinyl)indole
PubChem CID54495639
Molecular FormulaC25H27N3OS
Molecular Weight417.58 g/mol
Exact Mass417.19
IUPAC Name7-methoxy-1-[(1-methylpiperidin-3-yl)methyl]-3-(5-thiophen-3-yl-2-pyridinyl)indole
SMILESCOc1cccc2c(-c3ccc(-c4ccsc4)cn3)cn(CC3CCCN(C)C3)c12
InChIInChI=1S/C25H27N3OS/c1-27-11-4-5-18(14-27)15-28-16-22(21-6-3-7-24(29-2)25(21)28)23-9-8-19(13-26-23)20-10-12-30-17-20/h3,6-10,12-13,16-18H,4-5,11,14-15H2,1-2H3
InChIKeyXYWLODFDYJGEKR-UHFFFAOYSA-N
XLogP5.78
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.58
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2S)-2-amino-3-[(5-{thieno[2,3-c]pyridin-2-yl}pyridin-3-yl)oxy]propyl]-1H-indole
CID 10216158
{2-[5-Methoxy-1-(thiophene-2-sulfonyl)-1H-indol-3-yl]-ethyl}-dimethyl-amine
CID 9885426
3-[(2S)-2-amino-3-[(5-{thieno[3,2-c]pyridin-2-yl}pyridin-3-yl)oxy]propyl]-1H-indole
CID 23647539
2-(3,5-Dimethoxyphenyl)-5-(6-methoxy-3-pyridinyl)-1-methyl-3-thiophen-2-ylindole
CID 44142639
(+)-(R)-2-(3-(1-(3-methoxypyridin-2-yl)ethyl)benzo[b]thiophen-2-yl)-N,N-dimethylethanamine
CID 46884120
8-Methoxy-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenyl]sulfanylmethyl]quinoline
CID 90665380
1'-[(1-Methylindol-3-yl)methyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
CID 145989302
(2Z)-2-[(8-methoxy-1-methylquinolin-1-ium-4-yl)methylidene]-3-methyl-1,3-benzothiazole iodide
CID 155515850
5-methoxy-3-[1-(thiophen-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
CID 155517238
6-methoxy-2-(pyridin-3-ylmethyl)-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridine
CID 137660689
1-(1H-indol-3-yl)-3-[(5-thieno[3,2-c]pyridin-2-yl-3-pyridinyl)oxy]propan-2-amine
CID 49830599
8-[3-[4-(1-Benzothiophen-4-yl)piperazin-1-yl]propoxy]quinoline
CID 122172692

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1-[(1-methylpiperidin-3-yl)methyl]-3-(5-thiophen-3-yl-2-pyridinyl)indole?
The IUPAC name of 7-methoxy-1-[(1-methylpiperidin-3-yl)methyl]-3-(5-thiophen-3-yl-2-pyridinyl)indole (CID 54495639) is 7-methoxy-1-[(1-methylpiperidin-3-yl)methyl]-3-(5-thiophen-3-yl-2-pyridinyl)indole.
What is the SMILES notation for 7-methoxy-1-[(1-methylpiperidin-3-yl)methyl]-3-(5-thiophen-3-yl-2-pyridinyl)indole?
The canonical SMILES for 7-methoxy-1-[(1-methylpiperidin-3-yl)methyl]-3-(5-thiophen-3-yl-2-pyridinyl)indole is COc1cccc2c(-c3ccc(-c4ccsc4)cn3)cn(CC3CCCN(C)C3)c12.
What is the InChIKey of 7-methoxy-1-[(1-methylpiperidin-3-yl)methyl]-3-(5-thiophen-3-yl-2-pyridinyl)indole?
The InChIKey is XYWLODFDYJGEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3OS/c1-27-11-4-5-18(14-27)15-28-16-22(21-6-3-7-24(29-2)25(21)28)23-9-8-19(13-26-23)20-10-12-30-17-20/h3,6-10,12-13,16-18H,4-5,11,14-15H2,1-2H3.
What are the key properties of 7-methoxy-1-[(1-methylpiperidin-3-yl)methyl]-3-(5-thiophen-3-yl-2-pyridinyl)indole?
7-methoxy-1-[(1-methylpiperidin-3-yl)methyl]-3-(5-thiophen-3-yl-2-pyridinyl)indole has a molecular weight of 417.58 g/mol, XLogP of 5.78, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1-[(1-methylpiperidin-3-yl)methyl]-3-(5-thiophen-3-yl-2-pyridinyl)indole is sourced from PubChem (CID 54495639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).