2-[6-(furan-2-yl)-2-pyridin-2-yl-3-(1H-pyrrol-2-yl)-1-thiophen-2-yl-2H-pyrazin-5-yl]-1H-indole

C29H21N5OS — CID 141180704

IUPAC2-[6-(furan-2-yl)-2-pyridin-2-yl-3-(1H-pyrrol-2-yl)-1-thiophen-2-yl-2H-pyrazin-5-yl]-1H-indole
SMILESc1ccc(C2C(c3ccc[nH]3)=NC(c3cc4ccccc4[nH]3)=C(c3ccco3)N2c2cccs2)nc1
InChIInChI=1S/C29H21N5OS/c1-2-9-20-19(8-1)18-23(32-20)27-29(24-12-6-16-35-24)34(25-13-7-17-36-25)28(22-10-3-4-14-31-22)26(33-27)21-11-5-15-30-21/h1-18,28,30,32H
InChIKeyHEZOGOFQAJUHBJ-UHFFFAOYSA-N
MW487.59 g/mol
LogP7.12
Rot. Bonds5

About 2-[6-(furan-2-yl)-2-pyridin-2-yl-3-(1H-pyrrol-2-yl)-1-thiophen-2-yl-2H-pyrazin-5-yl]-1H-indole

2-[6-(furan-2-yl)-2-pyridin-2-yl-3-(1H-pyrrol-2-yl)-1-thiophen-2-yl-2H-pyrazin-5-yl]-1H-indole (PubChem CID 141180704) has the molecular formula C29H21N5OS and a molecular weight of 487.59 g/mol. Its IUPAC name is 2-[6-(furan-2-yl)-2-pyridin-2-yl-3-(1H-pyrrol-2-yl)-1-thiophen-2-yl-2H-pyrazin-5-yl]-1H-indole.

Molecular Properties

Compound Name2-[6-(furan-2-yl)-2-pyridin-2-yl-3-(1H-pyrrol-2-yl)-1-thiophen-2-yl-2H-pyrazin-5-yl]-1H-indole
PubChem CID141180704
Molecular FormulaC29H21N5OS
Molecular Weight487.59 g/mol
Exact Mass487.15
IUPAC Name2-[6-(furan-2-yl)-2-pyridin-2-yl-3-(1H-pyrrol-2-yl)-1-thiophen-2-yl-2H-pyrazin-5-yl]-1H-indole
SMILESc1ccc(C2C(c3ccc[nH]3)=NC(c3cc4ccccc4[nH]3)=C(c3ccco3)N2c2cccs2)nc1
InChIInChI=1S/C29H21N5OS/c1-2-9-20-19(8-1)18-23(32-20)27-29(24-12-6-16-35-24)34(25-13-7-17-36-25)28(22-10-3-4-14-31-22)26(33-27)21-11-5-15-30-21/h1-18,28,30,32H
InChIKeyHEZOGOFQAJUHBJ-UHFFFAOYSA-N
XLogP7.12
TPSA73.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.59
LogP ≤ 57.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[6-(furan-2-yl)-2-pyridin-2-yl-3-(1H-pyrrol-2-yl)-1-thiophen-2-yl-2H-pyrazin-5-yl]-1H-indole with MolForge

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Launch Full Analysis

Related Compounds

5-(furan-2-yl)-2-pyridin-2-yl-3-(1H-pyrrol-2-yl)-4-thiophen-2-yl-1H-indole
CID 141048940
2-(1H-indol-2-yl)-1,3-oxazole
CID 67340234
2-[4-(1-benzofuran-2-yl)-2,3-bis(furan-2-yl)-5,6-dithiophen-2-ylphenyl]-1H-indole
CID 141275777
3-(furan-2-yl)-6-(1H-indol-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 135652795
1H-imidazole;2-pyridin-2-yl-1H-indole
CID 174625400
2-(1H-indol-2-yl)-1H-pyrrolo[3,2-b]pyridine
CID 156702024
2-[7-(1H-pyrrol-2-yl)-2-benzofuran-1-yl]-1H-indole
CID 91181916
2-[6-(furan-2-yl)-4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-7-pyridin-2-yl-1H-benzimidazol-2-yl]-1,3-thiazole
CID 141056964
2-(1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridine
CID 69186852
2-(4-bromo-2-pyridinyl)-1H-indole
CID 152567330
2-[1-(furan-2-yl)-3-(2H-indazol-3-yl)-4-(1H-indol-2-yl)-2-(2H-tetrazol-5-yl)-5-thiophen-2-yl-3H-pyrrol-2-yl]quinoline
CID 141213923
2-(furan-2-yl)-5-thiophen-2-yl-1H-pyrrole
CID 126723370

Frequently Asked Questions

What is the IUPAC name of 2-[6-(furan-2-yl)-2-pyridin-2-yl-3-(1H-pyrrol-2-yl)-1-thiophen-2-yl-2H-pyrazin-5-yl]-1H-indole?
The IUPAC name of 2-[6-(furan-2-yl)-2-pyridin-2-yl-3-(1H-pyrrol-2-yl)-1-thiophen-2-yl-2H-pyrazin-5-yl]-1H-indole (CID 141180704) is 2-[6-(furan-2-yl)-2-pyridin-2-yl-3-(1H-pyrrol-2-yl)-1-thiophen-2-yl-2H-pyrazin-5-yl]-1H-indole.
What is the SMILES notation for 2-[6-(furan-2-yl)-2-pyridin-2-yl-3-(1H-pyrrol-2-yl)-1-thiophen-2-yl-2H-pyrazin-5-yl]-1H-indole?
The canonical SMILES for 2-[6-(furan-2-yl)-2-pyridin-2-yl-3-(1H-pyrrol-2-yl)-1-thiophen-2-yl-2H-pyrazin-5-yl]-1H-indole is c1ccc(C2C(c3ccc[nH]3)=NC(c3cc4ccccc4[nH]3)=C(c3ccco3)N2c2cccs2)nc1.
What is the InChIKey of 2-[6-(furan-2-yl)-2-pyridin-2-yl-3-(1H-pyrrol-2-yl)-1-thiophen-2-yl-2H-pyrazin-5-yl]-1H-indole?
The InChIKey is HEZOGOFQAJUHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21N5OS/c1-2-9-20-19(8-1)18-23(32-20)27-29(24-12-6-16-35-24)34(25-13-7-17-36-25)28(22-10-3-4-14-31-22)26(33-27)21-11-5-15-30-21/h1-18,28,30,32H.
What are the key properties of 2-[6-(furan-2-yl)-2-pyridin-2-yl-3-(1H-pyrrol-2-yl)-1-thiophen-2-yl-2H-pyrazin-5-yl]-1H-indole?
2-[6-(furan-2-yl)-2-pyridin-2-yl-3-(1H-pyrrol-2-yl)-1-thiophen-2-yl-2H-pyrazin-5-yl]-1H-indole has a molecular weight of 487.59 g/mol, XLogP of 7.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(furan-2-yl)-2-pyridin-2-yl-3-(1H-pyrrol-2-yl)-1-thiophen-2-yl-2H-pyrazin-5-yl]-1H-indole is sourced from PubChem (CID 141180704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).