2-[5-(furan-2-yl)-6-(oxolan-2-yl)-5-pyrazin-2-yl-4-pyridin-2-yl-6-thiophen-2-ylcyclohexa-1,3-dien-1-yl]-1H-indole

C35H28N4O2S — CID 141059176

IUPAC2-[5-(furan-2-yl)-6-(oxolan-2-yl)-5-pyrazin-2-yl-4-pyridin-2-yl-6-thiophen-2-ylcyclohexa-1,3-dien-1-yl]-1H-indole
SMILESC1=C(c2ccccn2)C(c2cnccn2)(c2ccco2)C(c2cccs2)(C2CCCO2)C(c2cc3ccccc3[nH]2)=C1
InChIInChI=1S/C35H28N4O2S/c1-2-9-27-24(8-1)22-29(39-27)26-15-14-25(28-10-3-4-16-37-28)34(31-11-5-19-40-31,30-23-36-17-18-38-30)35(26,32-12-6-20-41-32)33-13-7-21-42-33/h1-5,7-11,13-19,21-23,32,39H,6,12,20H2
InChIKeySEWYSSMQAPVPTO-UHFFFAOYSA-N
MW568.70 g/mol
LogP7.59
Rot. Bonds6

About 2-[5-(furan-2-yl)-6-(oxolan-2-yl)-5-pyrazin-2-yl-4-pyridin-2-yl-6-thiophen-2-ylcyclohexa-1,3-dien-1-yl]-1H-indole

2-[5-(furan-2-yl)-6-(oxolan-2-yl)-5-pyrazin-2-yl-4-pyridin-2-yl-6-thiophen-2-ylcyclohexa-1,3-dien-1-yl]-1H-indole (PubChem CID 141059176) has the molecular formula C35H28N4O2S and a molecular weight of 568.70 g/mol. Its IUPAC name is 2-[5-(furan-2-yl)-6-(oxolan-2-yl)-5-pyrazin-2-yl-4-pyridin-2-yl-6-thiophen-2-ylcyclohexa-1,3-dien-1-yl]-1H-indole.

Molecular Properties

Compound Name2-[5-(furan-2-yl)-6-(oxolan-2-yl)-5-pyrazin-2-yl-4-pyridin-2-yl-6-thiophen-2-ylcyclohexa-1,3-dien-1-yl]-1H-indole
PubChem CID141059176
Molecular FormulaC35H28N4O2S
Molecular Weight568.70 g/mol
Exact Mass568.19
IUPAC Name2-[5-(furan-2-yl)-6-(oxolan-2-yl)-5-pyrazin-2-yl-4-pyridin-2-yl-6-thiophen-2-ylcyclohexa-1,3-dien-1-yl]-1H-indole
SMILESC1=C(c2ccccn2)C(c2cnccn2)(c2ccco2)C(c2cccs2)(C2CCCO2)C(c2cc3ccccc3[nH]2)=C1
InChIInChI=1S/C35H28N4O2S/c1-2-9-27-24(8-1)22-29(39-27)26-15-14-25(28-10-3-4-16-37-28)34(31-11-5-19-40-31,30-23-36-17-18-38-30)35(26,32-12-6-20-41-32)33-13-7-21-42-33/h1-5,7-11,13-19,21-23,32,39H,6,12,20H2
InChIKeySEWYSSMQAPVPTO-UHFFFAOYSA-N
XLogP7.59
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.70
LogP ≤ 57.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[5-(furan-2-yl)-6-(oxolan-2-yl)-5-pyrazin-2-yl-4-pyridin-2-yl-6-thiophen-2-ylcyclohexa-1,3-dien-1-yl]-1H-indole with MolForge

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Related Compounds

[3-(furan-2-yl)-1H-indol-4-yl]-(4-thiophen-3-ylpiperazin-1-yl)methanone
CID 22727371
[3-(furan-2-yl)-1H-indol-5-yl]-(4-thiophen-2-ylpiperazin-1-yl)methanone
CID 22727373
[3-(furan-2-yl)-1H-indol-5-yl]-(4-thiophen-3-ylpiperazin-1-yl)methanone
CID 22727389
[3-(furan-2-yl)-1H-indol-4-yl]-(4-thiophen-2-ylpiperazin-1-yl)methanone
CID 22727405
5-[[4-(methoxymethyl)-3-methyl-9H-pyrido[3,4-b]indol-5-yl]oxy]thiophene-2-carbaldehyde
CID 56632554
1-[5-[5-[(2R)-2-amino-3-(1H-indol-3-yl)propoxy]-2-(furan-3-yl)-3-pyridinyl]thiophen-2-yl]ethanone
CID 69132738
1-[5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-2-(furan-3-yl)-3-pyridinyl]thiophen-2-yl]ethanone
CID 69132741
2-[3-(furan-2-yl)-2-(1H-pyrrol-2-yl)-4-thiophen-2-ylphenyl]-1H-indole
CID 90755845
7-(1-benzofuran-2-yl)-6-(1-benzothiophen-2-yl)-1-(1H-indol-2-yl)-2H-isoindole
CID 90928440
2-[[2-[2-[2-[2-[4-(furan-2-yl)-3-thiophen-2-yl-1H-pyrrol-2-yl]-3-pyridinyl]-1H-indol-3-yl]-1-benzofuran-3-yl]phenyl]sulfanyl-phenylmethyl]-3-isoquinolin-1-ylquinoline
CID 91399156
2-[3-[2-[2-[4-(furan-2-yl)-3-(1H-indol-2-yl)thiophen-2-yl]-1H-pyrrol-3-yl]-3-pyridinyl]pyrazin-2-yl]-1,3-oxazole
CID 91516242
9-(4-Thiophen-2-ylphenyl)-6-[5-[9-(4-thiophen-2-ylphenyl)pyrido[3,4-b]indol-6-yl]furan-2-yl]pyrido[3,4-b]indole
CID 124192632

Frequently Asked Questions

What is the IUPAC name of 2-[5-(furan-2-yl)-6-(oxolan-2-yl)-5-pyrazin-2-yl-4-pyridin-2-yl-6-thiophen-2-ylcyclohexa-1,3-dien-1-yl]-1H-indole?
The IUPAC name of 2-[5-(furan-2-yl)-6-(oxolan-2-yl)-5-pyrazin-2-yl-4-pyridin-2-yl-6-thiophen-2-ylcyclohexa-1,3-dien-1-yl]-1H-indole (CID 141059176) is 2-[5-(furan-2-yl)-6-(oxolan-2-yl)-5-pyrazin-2-yl-4-pyridin-2-yl-6-thiophen-2-ylcyclohexa-1,3-dien-1-yl]-1H-indole.
What is the SMILES notation for 2-[5-(furan-2-yl)-6-(oxolan-2-yl)-5-pyrazin-2-yl-4-pyridin-2-yl-6-thiophen-2-ylcyclohexa-1,3-dien-1-yl]-1H-indole?
The canonical SMILES for 2-[5-(furan-2-yl)-6-(oxolan-2-yl)-5-pyrazin-2-yl-4-pyridin-2-yl-6-thiophen-2-ylcyclohexa-1,3-dien-1-yl]-1H-indole is C1=C(c2ccccn2)C(c2cnccn2)(c2ccco2)C(c2cccs2)(C2CCCO2)C(c2cc3ccccc3[nH]2)=C1.
What is the InChIKey of 2-[5-(furan-2-yl)-6-(oxolan-2-yl)-5-pyrazin-2-yl-4-pyridin-2-yl-6-thiophen-2-ylcyclohexa-1,3-dien-1-yl]-1H-indole?
The InChIKey is SEWYSSMQAPVPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H28N4O2S/c1-2-9-27-24(8-1)22-29(39-27)26-15-14-25(28-10-3-4-16-37-28)34(31-11-5-19-40-31,30-23-36-17-18-38-30)35(26,32-12-6-20-41-32)33-13-7-21-42-33/h1-5,7-11,13-19,21-23,32,39H,6,12,20H2.
What are the key properties of 2-[5-(furan-2-yl)-6-(oxolan-2-yl)-5-pyrazin-2-yl-4-pyridin-2-yl-6-thiophen-2-ylcyclohexa-1,3-dien-1-yl]-1H-indole?
2-[5-(furan-2-yl)-6-(oxolan-2-yl)-5-pyrazin-2-yl-4-pyridin-2-yl-6-thiophen-2-ylcyclohexa-1,3-dien-1-yl]-1H-indole has a molecular weight of 568.70 g/mol, XLogP of 7.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(furan-2-yl)-6-(oxolan-2-yl)-5-pyrazin-2-yl-4-pyridin-2-yl-6-thiophen-2-ylcyclohexa-1,3-dien-1-yl]-1H-indole is sourced from PubChem (CID 141059176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).