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

C21H24N2OS — CID 155557425

IUPAC5-propan-2-yloxy-3-[1-(thiophen-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
SMILESCC(C)Oc1ccc2[nH]cc(C3=CCN(Cc4cccs4)CC3)c2c1
InChIInChI=1S/C21H24N2OS/c1-15(2)24-17-5-6-21-19(12-17)20(13-22-21)16-7-9-23(10-8-16)14-18-4-3-11-25-18/h3-7,11-13,15,22H,8-10,14H2,1-2H3
InChIKeyQEHDNJNWBKJWNE-UHFFFAOYSA-N
MW352.50 g/mol
LogP5.31
Rot. Bonds5

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

5-propan-2-yloxy-3-[1-(thiophen-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indole (PubChem CID 155557425) has the molecular formula C21H24N2OS and a molecular weight of 352.50 g/mol. Its IUPAC name is 5-propan-2-yloxy-3-[1-(thiophen-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indole.

Molecular Properties

Compound Name5-propan-2-yloxy-3-[1-(thiophen-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
PubChem CID155557425
Molecular FormulaC21H24N2OS
Molecular Weight352.50 g/mol
Exact Mass352.16
IUPAC Name5-propan-2-yloxy-3-[1-(thiophen-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
SMILESCC(C)Oc1ccc2[nH]cc(C3=CCN(Cc4cccs4)CC3)c2c1
InChIInChI=1S/C21H24N2OS/c1-15(2)24-17-5-6-21-19(12-17)20(13-22-21)16-7-9-23(10-8-16)14-18-4-3-11-25-18/h3-7,11-13,15,22H,8-10,14H2,1-2H3
InChIKeyQEHDNJNWBKJWNE-UHFFFAOYSA-N
XLogP5.31
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.50
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yloxy-3-[1-(thiophen-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indole?
The IUPAC name of 5-propan-2-yloxy-3-[1-(thiophen-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indole (CID 155557425) is 5-propan-2-yloxy-3-[1-(thiophen-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indole.
What is the SMILES notation for 5-propan-2-yloxy-3-[1-(thiophen-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indole?
The canonical SMILES for 5-propan-2-yloxy-3-[1-(thiophen-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indole is CC(C)Oc1ccc2[nH]cc(C3=CCN(Cc4cccs4)CC3)c2c1.
What is the InChIKey of 5-propan-2-yloxy-3-[1-(thiophen-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indole?
The InChIKey is QEHDNJNWBKJWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2OS/c1-15(2)24-17-5-6-21-19(12-17)20(13-22-21)16-7-9-23(10-8-16)14-18-4-3-11-25-18/h3-7,11-13,15,22H,8-10,14H2,1-2H3.
What are the key properties of 5-propan-2-yloxy-3-[1-(thiophen-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indole?
5-propan-2-yloxy-3-[1-(thiophen-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indole has a molecular weight of 352.50 g/mol, XLogP of 5.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yloxy-3-[1-(thiophen-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indole is sourced from PubChem (CID 155557425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).