5-[[6-(2-aminoethyl)-3-[1-[[6-[[6-(2-aminoethyl)-6-methyl-3-(1-methylpyrazol-4-yl)-5H-imidazo[1,2-a]pyrazin-8-yl]amino]thieno[2,3-b]pyrazin-3-yl]methyl]pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-N,3-dimethylthiophene-2-carboxamide

C38H41N17OS2 — CID 143460763

About 5-[[6-(2-aminoethyl)-3-[1-[[6-[[6-(2-aminoethyl)-6-methyl-3-(1-methylpyrazol-4-yl)-5H-imidazo[1,2-a]pyrazin-8-yl]amino]thieno[2,3-b]pyrazin-3-yl]methyl]pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-N,3-dimethylthiophene-2-carboxamide

5-[[6-(2-aminoethyl)-3-[1-[[6-[[6-(2-aminoethyl)-6-methyl-3-(1-methylpyrazol-4-yl)-5H-imidazo[1,2-a]pyrazin-8-yl]amino]thieno[2,3-b]pyrazin-3-yl]methyl]pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-N,3-dimethylthiophene-2-carboxamide (PubChem CID 143460763) has the molecular formula C38H41N17OS2 and a molecular weight of 816.00 g/mol. Its IUPAC name is 5-[[6-(2-aminoethyl)-3-[1-[[6-[[6-(2-aminoethyl)-6-methyl-3-(1-methylpyrazol-4-yl)-5H-imidazo[1,2-a]pyrazin-8-yl]amino]thieno[2,3-b]pyrazin-3-yl]methyl]pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-N,3-dimethylthiophene-2-carboxamide.

Molecular Properties

• Compound Name: 5-[[6-(2-aminoethyl)-3-[1-[[6-[[6-(2-aminoethyl)-6-methyl-3-(1-methylpyrazol-4-yl)-5H-imidazo[1,2-a]pyrazin-8-yl]amino]thieno[2,3-b]pyrazin-3-yl]methyl]pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-N,3-dimethylthiophene-2-carboxamide
• PubChem CID: 143460763
• Molecular Formula: C38H41N17OS2
• Molecular Weight: 816.00 g/mol
• Exact Mass: 815.31
• IUPAC Name: 5-[[6-(2-aminoethyl)-3-[1-[[6-[[6-(2-aminoethyl)-6-methyl-3-(1-methylpyrazol-4-yl)-5H-imidazo[1,2-a]pyrazin-8-yl]amino]thieno[2,3-b]pyrazin-3-yl]methyl]pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-N,3-dimethylthiophene-2-carboxamide
• SMILES: CNC(=O)c1sc(Nc2nc(CCN)cn3c(-c4cnn(Cc5cnc6cc(NC7=NC(C)(CCN)Cn8c(-c9cnn(C)c9)cnc87)sc6n5)c4)cnc23)cc1C
• InChI: InChI=1S/C38H41N17OS2/c1-21-9-29(57-31(21)36(56)41-3)49-32-34-43-14-27(54(34)19-24(47-32)5-7-39)23-12-46-53(17-23)18-25-13-42-26-10-30(58-37(26)48-25)50-33-35-44-15-28(22-11-45-52(4)16-22)55(35)20-38(2,51-33)6-8-40/h9-17,19H,5-8,18,20,39-40H2,1-4H3,(H,41,56)(H,47,49)(H,50,51)
• InChIKey: TUUDGWNAYDXRRN-UHFFFAOYSA-N
• XLogP: 4.20
• TPSA: 226.99 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 19
• Rotatable Bonds: 12
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	816.00
LogP ≤ 5	4.20
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 5-[[6-(2-aminoethyl)-3-[1-[[6-[[6-(2-aminoethyl)-6-methyl-3-(1-methylpyrazol-4-yl)-5H-imidazo[1,2-a]pyrazin-8-yl]amino]thieno[2,3-b]pyrazin-3-yl]methyl]pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-N,3-dimethylthiophene-2-carboxamide?

The IUPAC name of 5-[[6-(2-aminoethyl)-3-[1-[[6-[[6-(2-aminoethyl)-6-methyl-3-(1-methylpyrazol-4-yl)-5H-imidazo[1,2-a]pyrazin-8-yl]amino]thieno[2,3-b]pyrazin-3-yl]methyl]pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-N,3-dimethylthiophene-2-carboxamide (CID 143460763) is 5-[[6-(2-aminoethyl)-3-[1-[[6-[[6-(2-aminoethyl)-6-methyl-3-(1-methylpyrazol-4-yl)-5H-imidazo[1,2-a]pyrazin-8-yl]amino]thieno[2,3-b]pyrazin-3-yl]methyl]pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-N,3-dimethylthiophene-2-carboxamide.

What is the SMILES notation for 5-[[6-(2-aminoethyl)-3-[1-[[6-[[6-(2-aminoethyl)-6-methyl-3-(1-methylpyrazol-4-yl)-5H-imidazo[1,2-a]pyrazin-8-yl]amino]thieno[2,3-b]pyrazin-3-yl]methyl]pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-N,3-dimethylthiophene-2-carboxamide?

The canonical SMILES for 5-[[6-(2-aminoethyl)-3-[1-[[6-[[6-(2-aminoethyl)-6-methyl-3-(1-methylpyrazol-4-yl)-5H-imidazo[1,2-a]pyrazin-8-yl]amino]thieno[2,3-b]pyrazin-3-yl]methyl]pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-N,3-dimethylthiophene-2-carboxamide is CNC(=O)c1sc(Nc2nc(CCN)cn3c(-c4cnn(Cc5cnc6cc(NC7=NC(C)(CCN)Cn8c(-c9cnn(C)c9)cnc87)sc6n5)c4)cnc23)cc1C.

What is the InChIKey of 5-[[6-(2-aminoethyl)-3-[1-[[6-[[6-(2-aminoethyl)-6-methyl-3-(1-methylpyrazol-4-yl)-5H-imidazo[1,2-a]pyrazin-8-yl]amino]thieno[2,3-b]pyrazin-3-yl]methyl]pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-N,3-dimethylthiophene-2-carboxamide?

The InChIKey is TUUDGWNAYDXRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H41N17OS2/c1-21-9-29(57-31(21)36(56)41-3)49-32-34-43-14-27(54(34)19-24(47-32)5-7-39)23-12-46-53(17-23)18-25-13-42-26-10-30(58-37(26)48-25)50-33-35-44-15-28(22-11-45-52(4)16-22)55(35)20-38(2,51-33)6-8-40/h9-17,19H,5-8,18,20,39-40H2,1-4H3,(H,41,56)(H,47,49)(H,50,51).

What are the key properties of 5-[[6-(2-aminoethyl)-3-[1-[[6-[[6-(2-aminoethyl)-6-methyl-3-(1-methylpyrazol-4-yl)-5H-imidazo[1,2-a]pyrazin-8-yl]amino]thieno[2,3-b]pyrazin-3-yl]methyl]pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-N,3-dimethylthiophene-2-carboxamide?

5-[[6-(2-aminoethyl)-3-[1-[[6-[[6-(2-aminoethyl)-6-methyl-3-(1-methylpyrazol-4-yl)-5H-imidazo[1,2-a]pyrazin-8-yl]amino]thieno[2,3-b]pyrazin-3-yl]methyl]pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-N,3-dimethylthiophene-2-carboxamide has a molecular weight of 816.00 g/mol, XLogP of 4.20, 12 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[6-(2-aminoethyl)-3-[1-[[6-[[6-(2-aminoethyl)-6-methyl-3-(1-methylpyrazol-4-yl)-5H-imidazo[1,2-a]pyrazin-8-yl]amino]thieno[2,3-b]pyrazin-3-yl]methyl]pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-N,3-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 143460763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).