5-[[3-(5-cyanofuran-3-yl)-6-(cyclohexen-1-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N-diethyl-3-methylthiophene-2-sulfonamide

C26H28N6O3S2 — CID 58364825

IUPAC5-[[3-(5-cyanofuran-3-yl)-6-(cyclohexen-1-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N-diethyl-3-methylthiophene-2-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1sc(Nc2nc(C3=CCCCC3)cn3c(-c4coc(C#N)c4)cnc23)cc1C
InChIInChI=1S/C26H28N6O3S2/c1-4-31(5-2)37(33,34)26-17(3)11-23(36-26)30-24-25-28-14-22(19-12-20(13-27)35-16-19)32(25)15-21(29-24)18-9-7-6-8-10-18/h9,11-12,14-16H,4-8,10H2,1-3H3,(H,29,30)
InChIKeyJXJNPQXWTATYGG-UHFFFAOYSA-N
MW536.68 g/mol
LogP5.96
Rot. Bonds8

About 5-[[3-(5-cyanofuran-3-yl)-6-(cyclohexen-1-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N-diethyl-3-methylthiophene-2-sulfonamide

5-[[3-(5-cyanofuran-3-yl)-6-(cyclohexen-1-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N-diethyl-3-methylthiophene-2-sulfonamide (PubChem CID 58364825) has the molecular formula C26H28N6O3S2 and a molecular weight of 536.68 g/mol. Its IUPAC name is 5-[[3-(5-cyanofuran-3-yl)-6-(cyclohexen-1-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N-diethyl-3-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-[[3-(5-cyanofuran-3-yl)-6-(cyclohexen-1-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N-diethyl-3-methylthiophene-2-sulfonamide
PubChem CID58364825
Molecular FormulaC26H28N6O3S2
Molecular Weight536.68 g/mol
Exact Mass536.17
IUPAC Name5-[[3-(5-cyanofuran-3-yl)-6-(cyclohexen-1-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N-diethyl-3-methylthiophene-2-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1sc(Nc2nc(C3=CCCCC3)cn3c(-c4coc(C#N)c4)cnc23)cc1C
InChIInChI=1S/C26H28N6O3S2/c1-4-31(5-2)37(33,34)26-17(3)11-23(36-26)30-24-25-28-14-22(19-12-20(13-27)35-16-19)32(25)15-21(29-24)18-9-7-6-8-10-18/h9,11-12,14-16H,4-8,10H2,1-3H3,(H,29,30)
InChIKeyJXJNPQXWTATYGG-UHFFFAOYSA-N
XLogP5.96
TPSA116.53 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.68
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 5-[[3-(5-cyanofuran-3-yl)-6-(cyclohexen-1-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N-diethyl-3-methylthiophene-2-sulfonamide with MolForge

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Related Compounds

3-[5-(Furan-3-yl)thiophen-2-yl]-7-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine
CID 164628907
3-[2-(Furan-3-YL)-3H-imidazo[4,5-B]pyridin-3-YL]-1-(thiophene-2-sulfonyl)pyrrolidine
CID 53186970
2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-N-thiophen-2-ylsulfonylacetamide
CID 59443936
N-(furan-2-ylmethyl)-2-(3-methylthiophen-2-yl)imidazo[1,2-a]pyrazin-3-amine
CID 110244501
4-[[[3-(Furan-3-yl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide
CID 126472408
4-(2,5-Dimethylfuran-3-yl)-10-thia-3,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-5-amine
CID 15462242
4-(2,5-Dimethylfuran-3-yl)-10-thia-3,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 15462565
4-(2,5-Dimethylthiophen-3-yl)-10-oxa-3,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-5-amine
CID 18691230
4-(furan-2-yl)-12-methyl-N-(2-piperidin-1-ylethyl)-3-thia-1,7,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20824023
6-(furan-2-yl)-2-(5-methylthiophen-2-yl)-1H-imidazo[4,5-b]pyridine
CID 23025920
4-[6-(Cyclohexen-1-yl)-8-[(3-methyl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-3-yl]furan-2-carbonitrile
CID 58364892
5-[[3-(5-cyanofuran-3-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N-diethyl-3-methylthiophene-2-sulfonamide
CID 58873854

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(5-cyanofuran-3-yl)-6-(cyclohexen-1-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N-diethyl-3-methylthiophene-2-sulfonamide?
The IUPAC name of 5-[[3-(5-cyanofuran-3-yl)-6-(cyclohexen-1-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N-diethyl-3-methylthiophene-2-sulfonamide (CID 58364825) is 5-[[3-(5-cyanofuran-3-yl)-6-(cyclohexen-1-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N-diethyl-3-methylthiophene-2-sulfonamide.
What is the SMILES notation for 5-[[3-(5-cyanofuran-3-yl)-6-(cyclohexen-1-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N-diethyl-3-methylthiophene-2-sulfonamide?
The canonical SMILES for 5-[[3-(5-cyanofuran-3-yl)-6-(cyclohexen-1-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N-diethyl-3-methylthiophene-2-sulfonamide is CCN(CC)S(=O)(=O)c1sc(Nc2nc(C3=CCCCC3)cn3c(-c4coc(C#N)c4)cnc23)cc1C.
What is the InChIKey of 5-[[3-(5-cyanofuran-3-yl)-6-(cyclohexen-1-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N-diethyl-3-methylthiophene-2-sulfonamide?
The InChIKey is JXJNPQXWTATYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O3S2/c1-4-31(5-2)37(33,34)26-17(3)11-23(36-26)30-24-25-28-14-22(19-12-20(13-27)35-16-19)32(25)15-21(29-24)18-9-7-6-8-10-18/h9,11-12,14-16H,4-8,10H2,1-3H3,(H,29,30).
What are the key properties of 5-[[3-(5-cyanofuran-3-yl)-6-(cyclohexen-1-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N-diethyl-3-methylthiophene-2-sulfonamide?
5-[[3-(5-cyanofuran-3-yl)-6-(cyclohexen-1-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N-diethyl-3-methylthiophene-2-sulfonamide has a molecular weight of 536.68 g/mol, XLogP of 5.96, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(5-cyanofuran-3-yl)-6-(cyclohexen-1-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N-diethyl-3-methylthiophene-2-sulfonamide is sourced from PubChem (CID 58364825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).