2-[[5-(furan-2-ylmethyl)-3-(oxolan-2-ylmethyl)-4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]pyridine

C25H30N2O2S — CID 141015590

IUPAC2-[[5-(furan-2-ylmethyl)-3-(oxolan-2-ylmethyl)-4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]pyridine
SMILESc1ccc(Cc2sc(Cc3ccco3)c(CN3CCCC3)c2CC2CCCO2)nc1
InChIInChI=1S/C25H30N2O2S/c1-2-10-26-19(7-1)15-24-22(16-20-8-5-13-28-20)23(18-27-11-3-4-12-27)25(30-24)17-21-9-6-14-29-21/h1-2,6-7,9-10,14,20H,3-5,8,11-13,15-18H2
InChIKeyOGZCPZRSLDHIDL-UHFFFAOYSA-N
MW422.59 g/mol
LogP5.24
Rot. Bonds8

About 2-[[5-(furan-2-ylmethyl)-3-(oxolan-2-ylmethyl)-4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]pyridine

2-[[5-(furan-2-ylmethyl)-3-(oxolan-2-ylmethyl)-4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]pyridine (PubChem CID 141015590) has the molecular formula C25H30N2O2S and a molecular weight of 422.59 g/mol. Its IUPAC name is 2-[[5-(furan-2-ylmethyl)-3-(oxolan-2-ylmethyl)-4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]pyridine.

Molecular Properties

Compound Name2-[[5-(furan-2-ylmethyl)-3-(oxolan-2-ylmethyl)-4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]pyridine
PubChem CID141015590
Molecular FormulaC25H30N2O2S
Molecular Weight422.59 g/mol
Exact Mass422.20
IUPAC Name2-[[5-(furan-2-ylmethyl)-3-(oxolan-2-ylmethyl)-4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]pyridine
SMILESc1ccc(Cc2sc(Cc3ccco3)c(CN3CCCC3)c2CC2CCCO2)nc1
InChIInChI=1S/C25H30N2O2S/c1-2-10-26-19(7-1)15-24-22(16-20-8-5-13-28-20)23(18-27-11-3-4-12-27)25(30-24)17-21-9-6-14-29-21/h1-2,6-7,9-10,14,20H,3-5,8,11-13,15-18H2
InChIKeyOGZCPZRSLDHIDL-UHFFFAOYSA-N
XLogP5.24
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.59
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[[5-(furan-2-ylmethyl)-3-(oxolan-2-ylmethyl)-4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]pyridine with MolForge

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Related Compounds

4-(Furan-3-yl)-2,6-dithiophen-2-ylpyridine
CID 46224813
[5-[4-(Furan-2-yl)-3-pyridinyl]thiophen-2-yl]methanamine;dihydrochloride
CID 145955289
[5-[4-(Furan-3-yl)-3-pyridinyl]thiophen-2-yl]methanamine;dihydrochloride
CID 145956935
2-(5-Chlorothiophen-2-yl)-4-(furan-3-yl)-6-pyridin-3-ylpyridine
CID 46229631
4-Furan-2-yl-2-((E)-2-furan-2-yl-vinyl)-6-thiophen-2-yl-pyridine
CID 10064551
2-(Furan-2-yl)-6-pyridin-4-yl-4-thiophen-2-ylpyridine
CID 44423803
2-(Furan-2-yl)-6-pyridin-4-yl-4-thiophen-3-ylpyridine
CID 44423806
4-(Furan-3-yl)-2-pyridin-4-yl-6-thiophen-2-ylpyridine
CID 44423810
4-(Furan-3-yl)-2-pyridin-4-yl-6-thiophen-3-ylpyridine
CID 44423829
4-(Furan-2-yl)-2-pyridin-4-yl-6-thiophen-3-ylpyridine
CID 44423834
4-(Furan-2-yl)-2-pyridin-3-yl-6-thiophen-2-ylpyridine
CID 44423836
2-(5-Chlorothiophen-2-yl)-4-(furan-3-yl)-6-pyridin-2-ylpyridine
CID 46229630

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(furan-2-ylmethyl)-3-(oxolan-2-ylmethyl)-4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]pyridine?
The IUPAC name of 2-[[5-(furan-2-ylmethyl)-3-(oxolan-2-ylmethyl)-4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]pyridine (CID 141015590) is 2-[[5-(furan-2-ylmethyl)-3-(oxolan-2-ylmethyl)-4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]pyridine.
What is the SMILES notation for 2-[[5-(furan-2-ylmethyl)-3-(oxolan-2-ylmethyl)-4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]pyridine?
The canonical SMILES for 2-[[5-(furan-2-ylmethyl)-3-(oxolan-2-ylmethyl)-4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]pyridine is c1ccc(Cc2sc(Cc3ccco3)c(CN3CCCC3)c2CC2CCCO2)nc1.
What is the InChIKey of 2-[[5-(furan-2-ylmethyl)-3-(oxolan-2-ylmethyl)-4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]pyridine?
The InChIKey is OGZCPZRSLDHIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O2S/c1-2-10-26-19(7-1)15-24-22(16-20-8-5-13-28-20)23(18-27-11-3-4-12-27)25(30-24)17-21-9-6-14-29-21/h1-2,6-7,9-10,14,20H,3-5,8,11-13,15-18H2.
What are the key properties of 2-[[5-(furan-2-ylmethyl)-3-(oxolan-2-ylmethyl)-4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]pyridine?
2-[[5-(furan-2-ylmethyl)-3-(oxolan-2-ylmethyl)-4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]pyridine has a molecular weight of 422.59 g/mol, XLogP of 5.24, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(furan-2-ylmethyl)-3-(oxolan-2-ylmethyl)-4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]pyridine is sourced from PubChem (CID 141015590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).