3-[4-[2-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethyl]cyclohexyl]-1H-indole

C25H30N2S — CID 10834274

IUPAC3-[4-[2-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethyl]cyclohexyl]-1H-indole
SMILESC1=C(c2cccs2)CCN(CCC2CCC(c3c[nH]c4ccccc34)CC2)C1
InChIInChI=1S/C25H30N2S/c1-2-5-24-22(4-1)23(18-26-24)20-9-7-19(8-10-20)11-14-27-15-12-21(13-16-27)25-6-3-17-28-25/h1-6,12,17-20,26H,7-11,13-16H2
InChIKeyLNRNEKDKLOZZSJ-UHFFFAOYSA-N
MW390.60 g/mol
LogP6.68
Rot. Bonds5

About 3-[4-[2-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethyl]cyclohexyl]-1H-indole

3-[4-[2-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethyl]cyclohexyl]-1H-indole (PubChem CID 10834274) has the molecular formula C25H30N2S and a molecular weight of 390.60 g/mol. Its IUPAC name is 3-[4-[2-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethyl]cyclohexyl]-1H-indole.

Molecular Properties

Compound Name3-[4-[2-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethyl]cyclohexyl]-1H-indole
PubChem CID10834274
Molecular FormulaC25H30N2S
Molecular Weight390.60 g/mol
Exact Mass390.21
IUPAC Name3-[4-[2-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethyl]cyclohexyl]-1H-indole
SMILESC1=C(c2cccs2)CCN(CCC2CCC(c3c[nH]c4ccccc34)CC2)C1
InChIInChI=1S/C25H30N2S/c1-2-5-24-22(4-1)23(18-26-24)20-9-7-19(8-10-20)11-14-27-15-12-21(13-16-27)25-6-3-17-28-25/h1-6,12,17-20,26H,7-11,13-16H2
InChIKeyLNRNEKDKLOZZSJ-UHFFFAOYSA-N
XLogP6.68
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.60
LogP ≤ 56.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethyl]cyclohexyl]-1H-indole?
The IUPAC name of 3-[4-[2-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethyl]cyclohexyl]-1H-indole (CID 10834274) is 3-[4-[2-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethyl]cyclohexyl]-1H-indole.
What is the SMILES notation for 3-[4-[2-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethyl]cyclohexyl]-1H-indole?
The canonical SMILES for 3-[4-[2-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethyl]cyclohexyl]-1H-indole is C1=C(c2cccs2)CCN(CCC2CCC(c3c[nH]c4ccccc34)CC2)C1.
What is the InChIKey of 3-[4-[2-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethyl]cyclohexyl]-1H-indole?
The InChIKey is LNRNEKDKLOZZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2S/c1-2-5-24-22(4-1)23(18-26-24)20-9-7-19(8-10-20)11-14-27-15-12-21(13-16-27)25-6-3-17-28-25/h1-6,12,17-20,26H,7-11,13-16H2.
What are the key properties of 3-[4-[2-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethyl]cyclohexyl]-1H-indole?
3-[4-[2-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethyl]cyclohexyl]-1H-indole has a molecular weight of 390.60 g/mol, XLogP of 6.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethyl]cyclohexyl]-1H-indole is sourced from PubChem (CID 10834274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).