2-[1-(furan-2-yl)-2-pyrazin-2-yl-3-pyridin-2-yl-4-(1H-pyrrol-2-yl)-2-thiophen-2-yl-3H-pyrrol-5-yl]-1H-indole

C33H24N6OS — CID 141378584

IUPAC2-[1-(furan-2-yl)-2-pyrazin-2-yl-3-pyridin-2-yl-4-(1H-pyrrol-2-yl)-2-thiophen-2-yl-3H-pyrrol-5-yl]-1H-indole
SMILESc1ccc(C2C(c3ccc[nH]3)=C(c3cc4ccccc4[nH]3)N(c3ccco3)C2(c2cnccn2)c2cccs2)nc1
InChIInChI=1S/C33H24N6OS/c1-2-9-23-22(8-1)20-26(38-23)32-30(24-11-5-15-35-24)31(25-10-3-4-14-36-25)33(28-12-7-19-41-28,27-21-34-16-17-37-27)39(32)29-13-6-18-40-29/h1-21,31,35,38H
InChIKeyAIKBUTYFFSFGPZ-UHFFFAOYSA-N
MW552.66 g/mol
LogP7.45
Rot. Bonds6

About 2-[1-(furan-2-yl)-2-pyrazin-2-yl-3-pyridin-2-yl-4-(1H-pyrrol-2-yl)-2-thiophen-2-yl-3H-pyrrol-5-yl]-1H-indole

2-[1-(furan-2-yl)-2-pyrazin-2-yl-3-pyridin-2-yl-4-(1H-pyrrol-2-yl)-2-thiophen-2-yl-3H-pyrrol-5-yl]-1H-indole (PubChem CID 141378584) has the molecular formula C33H24N6OS and a molecular weight of 552.66 g/mol. Its IUPAC name is 2-[1-(furan-2-yl)-2-pyrazin-2-yl-3-pyridin-2-yl-4-(1H-pyrrol-2-yl)-2-thiophen-2-yl-3H-pyrrol-5-yl]-1H-indole.

Molecular Properties

Compound Name2-[1-(furan-2-yl)-2-pyrazin-2-yl-3-pyridin-2-yl-4-(1H-pyrrol-2-yl)-2-thiophen-2-yl-3H-pyrrol-5-yl]-1H-indole
PubChem CID141378584
Molecular FormulaC33H24N6OS
Molecular Weight552.66 g/mol
Exact Mass552.17
IUPAC Name2-[1-(furan-2-yl)-2-pyrazin-2-yl-3-pyridin-2-yl-4-(1H-pyrrol-2-yl)-2-thiophen-2-yl-3H-pyrrol-5-yl]-1H-indole
SMILESc1ccc(C2C(c3ccc[nH]3)=C(c3cc4ccccc4[nH]3)N(c3ccco3)C2(c2cnccn2)c2cccs2)nc1
InChIInChI=1S/C33H24N6OS/c1-2-9-23-22(8-1)20-26(38-23)32-30(24-11-5-15-35-24)31(25-10-3-4-14-36-25)33(28-12-7-19-41-28,27-21-34-16-17-37-27)39(32)29-13-6-18-40-29/h1-21,31,35,38H
InChIKeyAIKBUTYFFSFGPZ-UHFFFAOYSA-N
XLogP7.45
TPSA86.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.66
LogP ≤ 57.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(5-fluoro-1H-indol-3-yl)-1-(furan-3-ylmethyl)-2-oxothieno[2,3-b][1,4]thiazine-6-carboxamide
CID 176235142
N-(5-fluoro-1H-indol-3-yl)-1-(furan-3-ylmethyl)-2-oxothieno[2,3-b][1,4]thiazine-6-carboxamide
CID 176235270
N-[3-(1H-indol-3-yl)-1-oxo-1-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]amino]propan-2-yl]thiophene-2-carboxamide
CID 55712333
(2Z)-3-(2-furyl)-N-(2-indol-3-ylethyl)-2-(2-thienylcarbonylamino)prop-2-enamid e
CID 1593404
N-[(1E)-1-(furan-2-yl)-3-{[2-(1H-indol-3-yl)ethyl]amino}-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide
CID 5732948
[4-(furan-2-yl)piperazin-1-yl]-(3-thiophen-2-yl-1H-indol-4-yl)methanone
CID 22727384
[4-(furan-2-yl)piperazin-1-yl]-(3-thiophen-2-yl-1H-indol-5-yl)methanone
CID 22727406
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
1-[6-(furan-2-yl)-4-(1H-indol-2-yl)-2-pyrazin-2-yl-5-thiophen-2-yl-3-pyridinyl]-2H-isoindole
CID 140970254
2-[1-(furan-2-yl)-4-(1H-pyrrol-2-yl)-5-thiophen-2-ylpyrazol-3-yl]-1H-azepine
CID 140991639
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
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

Frequently Asked Questions

What is the IUPAC name of 2-[1-(furan-2-yl)-2-pyrazin-2-yl-3-pyridin-2-yl-4-(1H-pyrrol-2-yl)-2-thiophen-2-yl-3H-pyrrol-5-yl]-1H-indole?
The IUPAC name of 2-[1-(furan-2-yl)-2-pyrazin-2-yl-3-pyridin-2-yl-4-(1H-pyrrol-2-yl)-2-thiophen-2-yl-3H-pyrrol-5-yl]-1H-indole (CID 141378584) is 2-[1-(furan-2-yl)-2-pyrazin-2-yl-3-pyridin-2-yl-4-(1H-pyrrol-2-yl)-2-thiophen-2-yl-3H-pyrrol-5-yl]-1H-indole.
What is the SMILES notation for 2-[1-(furan-2-yl)-2-pyrazin-2-yl-3-pyridin-2-yl-4-(1H-pyrrol-2-yl)-2-thiophen-2-yl-3H-pyrrol-5-yl]-1H-indole?
The canonical SMILES for 2-[1-(furan-2-yl)-2-pyrazin-2-yl-3-pyridin-2-yl-4-(1H-pyrrol-2-yl)-2-thiophen-2-yl-3H-pyrrol-5-yl]-1H-indole is c1ccc(C2C(c3ccc[nH]3)=C(c3cc4ccccc4[nH]3)N(c3ccco3)C2(c2cnccn2)c2cccs2)nc1.
What is the InChIKey of 2-[1-(furan-2-yl)-2-pyrazin-2-yl-3-pyridin-2-yl-4-(1H-pyrrol-2-yl)-2-thiophen-2-yl-3H-pyrrol-5-yl]-1H-indole?
The InChIKey is AIKBUTYFFSFGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24N6OS/c1-2-9-23-22(8-1)20-26(38-23)32-30(24-11-5-15-35-24)31(25-10-3-4-14-36-25)33(28-12-7-19-41-28,27-21-34-16-17-37-27)39(32)29-13-6-18-40-29/h1-21,31,35,38H.
What are the key properties of 2-[1-(furan-2-yl)-2-pyrazin-2-yl-3-pyridin-2-yl-4-(1H-pyrrol-2-yl)-2-thiophen-2-yl-3H-pyrrol-5-yl]-1H-indole?
2-[1-(furan-2-yl)-2-pyrazin-2-yl-3-pyridin-2-yl-4-(1H-pyrrol-2-yl)-2-thiophen-2-yl-3H-pyrrol-5-yl]-1H-indole has a molecular weight of 552.66 g/mol, XLogP of 7.45, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(furan-2-yl)-2-pyrazin-2-yl-3-pyridin-2-yl-4-(1H-pyrrol-2-yl)-2-thiophen-2-yl-3H-pyrrol-5-yl]-1H-indole is sourced from PubChem (CID 141378584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).