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5-methoxy-3-[1-(thiophen-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indole

C19H20N2OS — CID 155517238

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC5-methoxy-3-[1-(thiophen-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
SMILESCOc1ccc2[nH]cc(C3=CCN(Cc4cccs4)CC3)c2c1
InChIInChI=1S/C19H20N2OS/c1-22-15-4-5-19-17(11-15)18(12-20-19)14-6-8-21(9-7-14)13-16-3-2-10-23-16/h2-6,10-12,20H,7-9,13H2,1H3
InChIKeyDSEBSOFOVQJJPG-UHFFFAOYSA-N
MW324.45 g/mol
LogP4.53
Rot. Bonds4

About 5-methoxy-3-[1-(thiophen-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indole

5-methoxy-3-[1-(thiophen-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indole (PubChem CID 155517238) has the molecular formula C19H20N2OS and a molecular weight of 324.45 g/mol. Its IUPAC name is 5-methoxy-3-[1-(thiophen-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indole.

Molecular Properties

Compound Name5-methoxy-3-[1-(thiophen-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
PubChem CID155517238
Molecular FormulaC19H20N2OS
Molecular Weight324.45 g/mol
Exact Mass324.13
IUPAC Name5-methoxy-3-[1-(thiophen-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
SMILESCOc1ccc2[nH]cc(C3=CCN(Cc4cccs4)CC3)c2c1
InChIInChI=1S/C19H20N2OS/c1-22-15-4-5-19-17(11-15)18(12-20-19)14-6-8-21(9-7-14)13-16-3-2-10-23-16/h2-6,10-12,20H,7-9,13H2,1H3
InChIKeyDSEBSOFOVQJJPG-UHFFFAOYSA-N
XLogP4.53
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-[1-(thiophen-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indole?
The IUPAC name of 5-methoxy-3-[1-(thiophen-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indole (CID 155517238) is 5-methoxy-3-[1-(thiophen-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indole.
What is the SMILES notation for 5-methoxy-3-[1-(thiophen-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indole?
The canonical SMILES for 5-methoxy-3-[1-(thiophen-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indole is COc1ccc2[nH]cc(C3=CCN(Cc4cccs4)CC3)c2c1.
What is the InChIKey of 5-methoxy-3-[1-(thiophen-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indole?
The InChIKey is DSEBSOFOVQJJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2OS/c1-22-15-4-5-19-17(11-15)18(12-20-19)14-6-8-21(9-7-14)13-16-3-2-10-23-16/h2-6,10-12,20H,7-9,13H2,1H3.
What are the key properties of 5-methoxy-3-[1-(thiophen-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indole?
5-methoxy-3-[1-(thiophen-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indole has a molecular weight of 324.45 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-[1-(thiophen-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indole is sourced from PubChem (CID 155517238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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