1-[6-(furan-2-yl)-4-(1H-indol-2-yl)-2-pyrazin-2-yl-5-thiophen-2-yl-3-pyridinyl]-2H-isoindole

C33H21N5OS — CID 140970254

IUPAC1-[6-(furan-2-yl)-4-(1H-indol-2-yl)-2-pyrazin-2-yl-5-thiophen-2-yl-3-pyridinyl]-2H-isoindole
SMILESc1coc(-c2nc(-c3cnccn3)c(-c3[nH]cc4ccccc34)c(-c3cc4ccccc4[nH]3)c2-c2cccs2)c1
InChIInChI=1S/C33H21N5OS/c1-3-9-22-21(8-1)18-36-31(22)30-28(24-17-20-7-2-4-10-23(20)37-24)29(27-12-6-16-40-27)33(26-11-5-15-39-26)38-32(30)25-19-34-13-14-35-25/h1-19,36-37H
InChIKeyDLKHKRNUZIKAPB-UHFFFAOYSA-N
MW535.63 g/mol
LogP8.82
Rot. Bonds5

About 1-[6-(furan-2-yl)-4-(1H-indol-2-yl)-2-pyrazin-2-yl-5-thiophen-2-yl-3-pyridinyl]-2H-isoindole

1-[6-(furan-2-yl)-4-(1H-indol-2-yl)-2-pyrazin-2-yl-5-thiophen-2-yl-3-pyridinyl]-2H-isoindole (PubChem CID 140970254) has the molecular formula C33H21N5OS and a molecular weight of 535.63 g/mol. Its IUPAC name is 1-[6-(furan-2-yl)-4-(1H-indol-2-yl)-2-pyrazin-2-yl-5-thiophen-2-yl-3-pyridinyl]-2H-isoindole.

Molecular Properties

Compound Name1-[6-(furan-2-yl)-4-(1H-indol-2-yl)-2-pyrazin-2-yl-5-thiophen-2-yl-3-pyridinyl]-2H-isoindole
PubChem CID140970254
Molecular FormulaC33H21N5OS
Molecular Weight535.63 g/mol
Exact Mass535.15
IUPAC Name1-[6-(furan-2-yl)-4-(1H-indol-2-yl)-2-pyrazin-2-yl-5-thiophen-2-yl-3-pyridinyl]-2H-isoindole
SMILESc1coc(-c2nc(-c3cnccn3)c(-c3[nH]cc4ccccc34)c(-c3cc4ccccc4[nH]3)c2-c2cccs2)c1
InChIInChI=1S/C33H21N5OS/c1-3-9-22-21(8-1)18-36-31(22)30-28(24-17-20-7-2-4-10-23(20)37-24)29(27-12-6-16-40-27)33(26-11-5-15-39-26)38-32(30)25-19-34-13-14-35-25/h1-19,36-37H
InChIKeyDLKHKRNUZIKAPB-UHFFFAOYSA-N
XLogP8.82
TPSA83.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.63
LogP ≤ 58.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-fluoro-2-pyridin-2-yl-5-(1H-pyrrolo[3,2-b]pyridin-2-yl)-6-(1H-pyrrol-2-yl)-4-thieno[3,2-b]pyridin-2-ylphenyl]-1,3-benzoxazole
CID 141325330
2-benzyl-1-(furan-2-yl)-9H-pyrido[3,4-b]indol-2-ium
CID 155526773
N-(furan-2-ylmethyl)-3-(1H-indol-3-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 4882423
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-[5-[(dimethylamino)methyl]furan-3-yl]-N-(1H-indol-5-yl)thieno[2,3-b]pyridin-4-amine
CID 69474845
(2S)-1-[[5-(1-benzothiophen-2-yl)-6-(furan-2-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine
CID 69917753
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
2-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]-1-(furan-2-yl)ethanimine;2-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine
CID 123204204

Frequently Asked Questions

What is the IUPAC name of 1-[6-(furan-2-yl)-4-(1H-indol-2-yl)-2-pyrazin-2-yl-5-thiophen-2-yl-3-pyridinyl]-2H-isoindole?
The IUPAC name of 1-[6-(furan-2-yl)-4-(1H-indol-2-yl)-2-pyrazin-2-yl-5-thiophen-2-yl-3-pyridinyl]-2H-isoindole (CID 140970254) is 1-[6-(furan-2-yl)-4-(1H-indol-2-yl)-2-pyrazin-2-yl-5-thiophen-2-yl-3-pyridinyl]-2H-isoindole.
What is the SMILES notation for 1-[6-(furan-2-yl)-4-(1H-indol-2-yl)-2-pyrazin-2-yl-5-thiophen-2-yl-3-pyridinyl]-2H-isoindole?
The canonical SMILES for 1-[6-(furan-2-yl)-4-(1H-indol-2-yl)-2-pyrazin-2-yl-5-thiophen-2-yl-3-pyridinyl]-2H-isoindole is c1coc(-c2nc(-c3cnccn3)c(-c3[nH]cc4ccccc34)c(-c3cc4ccccc4[nH]3)c2-c2cccs2)c1.
What is the InChIKey of 1-[6-(furan-2-yl)-4-(1H-indol-2-yl)-2-pyrazin-2-yl-5-thiophen-2-yl-3-pyridinyl]-2H-isoindole?
The InChIKey is DLKHKRNUZIKAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H21N5OS/c1-3-9-22-21(8-1)18-36-31(22)30-28(24-17-20-7-2-4-10-23(20)37-24)29(27-12-6-16-40-27)33(26-11-5-15-39-26)38-32(30)25-19-34-13-14-35-25/h1-19,36-37H.
What are the key properties of 1-[6-(furan-2-yl)-4-(1H-indol-2-yl)-2-pyrazin-2-yl-5-thiophen-2-yl-3-pyridinyl]-2H-isoindole?
1-[6-(furan-2-yl)-4-(1H-indol-2-yl)-2-pyrazin-2-yl-5-thiophen-2-yl-3-pyridinyl]-2H-isoindole has a molecular weight of 535.63 g/mol, XLogP of 8.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(furan-2-yl)-4-(1H-indol-2-yl)-2-pyrazin-2-yl-5-thiophen-2-yl-3-pyridinyl]-2H-isoindole is sourced from PubChem (CID 140970254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).