5-(furan-2-yl)-1-(1H-indol-2-yl)-2-(1H-pyrrol-2-yl)-3-thiophen-2-ylindolizine

C28H19N3OS — CID 141136937

IUPAC5-(furan-2-yl)-1-(1H-indol-2-yl)-2-(1H-pyrrol-2-yl)-3-thiophen-2-ylindolizine
SMILESc1c[nH]c(-c2c(-c3cc4ccccc4[nH]3)c3cccc(-c4ccco4)n3c2-c2cccs2)c1
InChIInChI=1S/C28H19N3OS/c1-2-8-19-18(7-1)17-21(30-19)26-23-11-3-10-22(24-12-5-15-32-24)31(23)28(25-13-6-16-33-25)27(26)20-9-4-14-29-20/h1-17,29-30H
InChIKeyWBSJYGQGJTXUPL-UHFFFAOYSA-N
MW445.55 g/mol
LogP8.07
Rot. Bonds4

About 5-(furan-2-yl)-1-(1H-indol-2-yl)-2-(1H-pyrrol-2-yl)-3-thiophen-2-ylindolizine

5-(furan-2-yl)-1-(1H-indol-2-yl)-2-(1H-pyrrol-2-yl)-3-thiophen-2-ylindolizine (PubChem CID 141136937) has the molecular formula C28H19N3OS and a molecular weight of 445.55 g/mol. Its IUPAC name is 5-(furan-2-yl)-1-(1H-indol-2-yl)-2-(1H-pyrrol-2-yl)-3-thiophen-2-ylindolizine.

Molecular Properties

Compound Name5-(furan-2-yl)-1-(1H-indol-2-yl)-2-(1H-pyrrol-2-yl)-3-thiophen-2-ylindolizine
PubChem CID141136937
Molecular FormulaC28H19N3OS
Molecular Weight445.55 g/mol
Exact Mass445.12
IUPAC Name5-(furan-2-yl)-1-(1H-indol-2-yl)-2-(1H-pyrrol-2-yl)-3-thiophen-2-ylindolizine
SMILESc1c[nH]c(-c2c(-c3cc4ccccc4[nH]3)c3cccc(-c4ccco4)n3c2-c2cccs2)c1
InChIInChI=1S/C28H19N3OS/c1-2-8-19-18(7-1)17-21(30-19)26-23-11-3-10-22(24-12-5-15-32-24)31(23)28(25-13-6-16-33-25)27(26)20-9-4-14-29-20/h1-17,29-30H
InChIKeyWBSJYGQGJTXUPL-UHFFFAOYSA-N
XLogP8.07
TPSA49.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.55
LogP ≤ 58.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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
2-(1H-indol-3-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]acetamide
CID 24235354
2-(furan-2-yl)-N-[2-(1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 36655716
3-{[1-Benzyl-2-(thiophen-2-YL)-1H-indol-3-YL]methyl}-1-[(furan-2-YL)methyl]urea
CID 45106591
1-(4-(5-(furan-2-yl)-1,3,4-thiadiazol-2-yl)piperidin-1-yl)-2-(1H-indol-3-yl)ethanone
CID 71780436
3-(5-fluoro-1H-indol-3-yl)-1-(furan-2-ylmethyl)-2-oxothieno[2,3-b][1,4]thiazine-6-carboxamide
CID 176235094
4-(Furan-2-yl)thieno[3,2-c]pyridine
CID 119084991
3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(furan-2-ylmethyl)-3-thiophen-2-ylpropanamide
CID 4516584
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N-(furan-2-ylmethyl)thiophene-2-sulfonamide
CID 4979654
2-({(E)-[1-(2-fluorobenzyl)-1H-indol-3-yl]methylidene}amino)-N-(furan-2-ylmethyl)thiophene-3-carboxamide
CID 17371665
2-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylideneamino]-N-(furan-2-ylmethyl)thiophene-3-carboxamide
CID 28985214

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-1-(1H-indol-2-yl)-2-(1H-pyrrol-2-yl)-3-thiophen-2-ylindolizine?
The IUPAC name of 5-(furan-2-yl)-1-(1H-indol-2-yl)-2-(1H-pyrrol-2-yl)-3-thiophen-2-ylindolizine (CID 141136937) is 5-(furan-2-yl)-1-(1H-indol-2-yl)-2-(1H-pyrrol-2-yl)-3-thiophen-2-ylindolizine.
What is the SMILES notation for 5-(furan-2-yl)-1-(1H-indol-2-yl)-2-(1H-pyrrol-2-yl)-3-thiophen-2-ylindolizine?
The canonical SMILES for 5-(furan-2-yl)-1-(1H-indol-2-yl)-2-(1H-pyrrol-2-yl)-3-thiophen-2-ylindolizine is c1c[nH]c(-c2c(-c3cc4ccccc4[nH]3)c3cccc(-c4ccco4)n3c2-c2cccs2)c1.
What is the InChIKey of 5-(furan-2-yl)-1-(1H-indol-2-yl)-2-(1H-pyrrol-2-yl)-3-thiophen-2-ylindolizine?
The InChIKey is WBSJYGQGJTXUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19N3OS/c1-2-8-19-18(7-1)17-21(30-19)26-23-11-3-10-22(24-12-5-15-32-24)31(23)28(25-13-6-16-33-25)27(26)20-9-4-14-29-20/h1-17,29-30H.
What are the key properties of 5-(furan-2-yl)-1-(1H-indol-2-yl)-2-(1H-pyrrol-2-yl)-3-thiophen-2-ylindolizine?
5-(furan-2-yl)-1-(1H-indol-2-yl)-2-(1H-pyrrol-2-yl)-3-thiophen-2-ylindolizine has a molecular weight of 445.55 g/mol, XLogP of 8.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-1-(1H-indol-2-yl)-2-(1H-pyrrol-2-yl)-3-thiophen-2-ylindolizine is sourced from PubChem (CID 141136937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).