2-[3-(furan-2-yl)-1-pyrrolidin-1-yl-2-(1H-pyrrol-2-yl)-3-thiophen-2-ylpiperidin-2-yl]pyridine

C26H28N4OS — CID 140978872

IUPAC2-[3-(furan-2-yl)-1-pyrrolidin-1-yl-2-(1H-pyrrol-2-yl)-3-thiophen-2-ylpiperidin-2-yl]pyridine
SMILESc1ccc(C2(c3ccc[nH]3)N(N3CCCC3)CCCC2(c2ccco2)c2cccs2)nc1
InChIInChI=1S/C26H28N4OS/c1-2-14-27-21(9-1)26(22-10-5-15-28-22)25(23-11-6-19-31-23,24-12-7-20-32-24)13-8-18-30(26)29-16-3-4-17-29/h1-2,5-7,9-12,14-15,19-20,28H,3-4,8,13,16-18H2
InChIKeyZZRKTRVWKWUJRV-UHFFFAOYSA-N
MW444.60 g/mol
LogP5.40
Rot. Bonds5

About 2-[3-(furan-2-yl)-1-pyrrolidin-1-yl-2-(1H-pyrrol-2-yl)-3-thiophen-2-ylpiperidin-2-yl]pyridine

2-[3-(furan-2-yl)-1-pyrrolidin-1-yl-2-(1H-pyrrol-2-yl)-3-thiophen-2-ylpiperidin-2-yl]pyridine (PubChem CID 140978872) has the molecular formula C26H28N4OS and a molecular weight of 444.60 g/mol. Its IUPAC name is 2-[3-(furan-2-yl)-1-pyrrolidin-1-yl-2-(1H-pyrrol-2-yl)-3-thiophen-2-ylpiperidin-2-yl]pyridine.

Molecular Properties

Compound Name2-[3-(furan-2-yl)-1-pyrrolidin-1-yl-2-(1H-pyrrol-2-yl)-3-thiophen-2-ylpiperidin-2-yl]pyridine
PubChem CID140978872
Molecular FormulaC26H28N4OS
Molecular Weight444.60 g/mol
Exact Mass444.20
IUPAC Name2-[3-(furan-2-yl)-1-pyrrolidin-1-yl-2-(1H-pyrrol-2-yl)-3-thiophen-2-ylpiperidin-2-yl]pyridine
SMILESc1ccc(C2(c3ccc[nH]3)N(N3CCCC3)CCCC2(c2ccco2)c2cccs2)nc1
InChIInChI=1S/C26H28N4OS/c1-2-14-27-21(9-1)26(22-10-5-15-28-22)25(23-11-6-19-31-23,24-12-7-20-32-24)13-8-18-30(26)29-16-3-4-17-29/h1-2,5-7,9-12,14-15,19-20,28H,3-4,8,13,16-18H2
InChIKeyZZRKTRVWKWUJRV-UHFFFAOYSA-N
XLogP5.40
TPSA48.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.60
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Furyl(thienyl)pyrrole
CID 129782024
2-[3-(furan-2-yl)-2-(1H-pyrrol-2-yl)-4-thiophen-2-ylphenyl]-1H-indole
CID 90755845
4-[4-deuterio-3-[3-(1H-pyrrol-2-yl)furan-2-yl]thiophen-2-yl]-1,3-thiazole
CID 91804953
5-(5-Ethoxythiophen-3-yl)sulfanyl-3-(furan-2-yl)-2-(1,2,3,6-tetrahydropyridin-6-yl)pyridine
CID 122673514
2-methyl-3-[[5-methyl-4-[2-(3-methyl-5-phenylthiophen-2-yl)ethyl]furan-2-yl]methyl]-1H-pyrrole
CID 129059158
2-[2-(5-methylfuran-3-yl)ethyl]-4-[2-(5-methylthiophen-3-yl)ethyl]-1H-pyrrole
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N-[[5-(furan-2-yl)thiophen-2-yl]methyl]-2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethanamine
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2-[2-(5-methylfuran-3-yl)ethyl]-4-(5-methylthiophen-3-yl)-1H-pyrrole
CID 134244088
3-(furan-2-yl)-4-(1H-pyrrol-2-yl)-2-thiophen-2-ylpyridine
CID 140976742
4-[3-(1-adamantyl)-3-(furan-2-yl)-2-pyridin-2-yl-4-(1H-pyrrol-2-yl)-2-thiophen-2-ylpiperidin-1-yl]morpholine
CID 140983712

Frequently Asked Questions

What is the IUPAC name of 2-[3-(furan-2-yl)-1-pyrrolidin-1-yl-2-(1H-pyrrol-2-yl)-3-thiophen-2-ylpiperidin-2-yl]pyridine?
The IUPAC name of 2-[3-(furan-2-yl)-1-pyrrolidin-1-yl-2-(1H-pyrrol-2-yl)-3-thiophen-2-ylpiperidin-2-yl]pyridine (CID 140978872) is 2-[3-(furan-2-yl)-1-pyrrolidin-1-yl-2-(1H-pyrrol-2-yl)-3-thiophen-2-ylpiperidin-2-yl]pyridine.
What is the SMILES notation for 2-[3-(furan-2-yl)-1-pyrrolidin-1-yl-2-(1H-pyrrol-2-yl)-3-thiophen-2-ylpiperidin-2-yl]pyridine?
The canonical SMILES for 2-[3-(furan-2-yl)-1-pyrrolidin-1-yl-2-(1H-pyrrol-2-yl)-3-thiophen-2-ylpiperidin-2-yl]pyridine is c1ccc(C2(c3ccc[nH]3)N(N3CCCC3)CCCC2(c2ccco2)c2cccs2)nc1.
What is the InChIKey of 2-[3-(furan-2-yl)-1-pyrrolidin-1-yl-2-(1H-pyrrol-2-yl)-3-thiophen-2-ylpiperidin-2-yl]pyridine?
The InChIKey is ZZRKTRVWKWUJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4OS/c1-2-14-27-21(9-1)26(22-10-5-15-28-22)25(23-11-6-19-31-23,24-12-7-20-32-24)13-8-18-30(26)29-16-3-4-17-29/h1-2,5-7,9-12,14-15,19-20,28H,3-4,8,13,16-18H2.
What are the key properties of 2-[3-(furan-2-yl)-1-pyrrolidin-1-yl-2-(1H-pyrrol-2-yl)-3-thiophen-2-ylpiperidin-2-yl]pyridine?
2-[3-(furan-2-yl)-1-pyrrolidin-1-yl-2-(1H-pyrrol-2-yl)-3-thiophen-2-ylpiperidin-2-yl]pyridine has a molecular weight of 444.60 g/mol, XLogP of 5.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(furan-2-yl)-1-pyrrolidin-1-yl-2-(1H-pyrrol-2-yl)-3-thiophen-2-ylpiperidin-2-yl]pyridine is sourced from PubChem (CID 140978872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).