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-sulfinamide

C25H27N7O2S2 — CID 143460781

IUPAC5-[[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-sulfinamide
SMILESCCN(CC)S(=O)c1sc(Nc2nc(C3=CCCNC3)cn3c(-c4coc(C#N)c4)cnc23)cc1C
InChIInChI=1S/C25H27N7O2S2/c1-4-31(5-2)36(33)25-16(3)9-22(35-25)30-23-24-28-13-21(18-10-19(11-26)34-15-18)32(24)14-20(29-23)17-7-6-8-27-12-17/h7,9-10,13-15,27H,4-6,8,12H2,1-3H3,(H,29,30)
InChIKeyIABRPUFELFVIOT-UHFFFAOYSA-N
MW521.67 g/mol
LogP4.72
Rot. Bonds8

About 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-sulfinamide

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-sulfinamide (PubChem CID 143460781) has the molecular formula C25H27N7O2S2 and a molecular weight of 521.67 g/mol. Its IUPAC name is 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-sulfinamide.

Molecular Properties

Compound Name5-[[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-sulfinamide
PubChem CID143460781
Molecular FormulaC25H27N7O2S2
Molecular Weight521.67 g/mol
Exact Mass521.17
IUPAC Name5-[[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-sulfinamide
SMILESCCN(CC)S(=O)c1sc(Nc2nc(C3=CCCNC3)cn3c(-c4coc(C#N)c4)cnc23)cc1C
InChIInChI=1S/C25H27N7O2S2/c1-4-31(5-2)36(33)25-16(3)9-22(35-25)30-23-24-28-13-21(18-10-19(11-26)34-15-18)32(24)14-20(29-23)17-7-6-8-27-12-17/h7,9-10,13-15,27H,4-6,8,12H2,1-3H3,(H,29,30)
InChIKeyIABRPUFELFVIOT-UHFFFAOYSA-N
XLogP4.72
TPSA111.49 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.67
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 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-sulfinamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-N-(furan-2-ylmethyl)-1,3-thiazol-2-amine
CID 697316
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
2-Ethylthiophene;1-[6-(furan-3-yl)-3-[2-(methylamino)prop-2-enyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethanone;methane
CID 143763042
N-(furan-2-ylmethyl)-3-thiophen-3-ylimidazo[1,2-a]pyrazin-8-amine
CID 68654930
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
3-[2-[4-[[3-(2-furanylmethyl)-3H-imidazo[4,5-b]pyridin-2-yl]methyl]-1-piperidinyl]ethyl]-2,3-dihydro-6-methyl-2-thioxothieno[2,3-d]pyrimidin-4(1H)-one
CID 14013522
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-(2-Methylthiophen-3-yl)-10-oxa-3,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-5-amine
CID 18691291

Frequently Asked Questions

What is the IUPAC name of 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-sulfinamide?
The IUPAC name of 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-sulfinamide (CID 143460781) is 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-sulfinamide.
What is the SMILES notation for 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-sulfinamide?
The canonical SMILES for 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-sulfinamide is CCN(CC)S(=O)c1sc(Nc2nc(C3=CCCNC3)cn3c(-c4coc(C#N)c4)cnc23)cc1C.
What is the InChIKey of 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-sulfinamide?
The InChIKey is IABRPUFELFVIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O2S2/c1-4-31(5-2)36(33)25-16(3)9-22(35-25)30-23-24-28-13-21(18-10-19(11-26)34-15-18)32(24)14-20(29-23)17-7-6-8-27-12-17/h7,9-10,13-15,27H,4-6,8,12H2,1-3H3,(H,29,30).
What are the key properties of 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-sulfinamide?
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-sulfinamide has a molecular weight of 521.67 g/mol, XLogP of 4.72, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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-sulfinamide is sourced from PubChem (CID 143460781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).