5-[[6-(4-cyclopropylbutyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N,3-trimethylthiophene-2-sulfonamide;N,N,3-trimethyl-5-[[3-(1-methylpyrazol-4-yl)-6-piperidin-3-ylimidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfonamide

C46H59N15O4S4 — CID 123401555

About 5-[[6-(4-cyclopropylbutyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N,3-trimethylthiophene-2-sulfonamide;N,N,3-trimethyl-5-[[3-(1-methylpyrazol-4-yl)-6-piperidin-3-ylimidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfonamide

5-[[6-(4-cyclopropylbutyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N,3-trimethylthiophene-2-sulfonamide;N,N,3-trimethyl-5-[[3-(1-methylpyrazol-4-yl)-6-piperidin-3-ylimidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfonamide (PubChem CID 123401555) has the molecular formula C46H59N15O4S4 and a molecular weight of 1014.35 g/mol. Its IUPAC name is 5-[[6-(4-cyclopropylbutyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N,3-trimethylthiophene-2-sulfonamide;N,N,3-trimethyl-5-[[3-(1-methylpyrazol-4-yl)-6-piperidin-3-ylimidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfonamide.

Molecular Properties

• Compound Name: 5-[[6-(4-cyclopropylbutyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N,3-trimethylthiophene-2-sulfonamide;N,N,3-trimethyl-5-[[3-(1-methylpyrazol-4-yl)-6-piperidin-3-ylimidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfonamide
• PubChem CID: 123401555
• Molecular Formula: C46H59N15O4S4
• Molecular Weight: 1014.35 g/mol
• Exact Mass: 1013.38
• IUPAC Name: 5-[[6-(4-cyclopropylbutyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N,3-trimethylthiophene-2-sulfonamide;N,N,3-trimethyl-5-[[3-(1-methylpyrazol-4-yl)-6-piperidin-3-ylimidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfonamide
• SMILES: Cc1cc(Nc2nc(C3CCCNC3)cn3c(-c4cnn(C)c4)cnc23)sc1S(=O)(=O)N(C)C.Cc1cc(Nc2nc(CCCCC3CC3)cn3c(-c4cnn(C)c4)cnc23)sc1S(=O)(=O)N(C)C
• InChI: InChI=1S/C24H31N7O2S2.C22H28N8O2S2/c1-16-11-21(34-24(16)35(32,33)29(2)3)28-22-23-25-13-20(18-12-26-30(4)14-18)31(23)15-19(27-22)8-6-5-7-17-9-10-17;1-14-8-19(33-22(14)34(31,32)28(2)3)27-20-21-24-11-18(16-10-25-29(4)12-16)30(21)13-17(26-20)15-6-5-7-23-9-15/h11-15,17H,5-10H2,1-4H3,(H,27,28);8,10-13,15,23H,5-7,9H2,1-4H3,(H,26,27)
• InChIKey: GXQXWJCCQVKOOR-UHFFFAOYSA-N
• XLogP: 7.58
• TPSA: 206.87 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 19
• Rotatable Bonds: 16
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1014.35
LogP ≤ 5	7.58
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[[6-(4-cyclopropylbutyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N,3-trimethylthiophene-2-sulfonamide;N,N,3-trimethyl-5-[[3-(1-methylpyrazol-4-yl)-6-piperidin-3-ylimidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfonamide?

The IUPAC name of 5-[[6-(4-cyclopropylbutyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N,3-trimethylthiophene-2-sulfonamide;N,N,3-trimethyl-5-[[3-(1-methylpyrazol-4-yl)-6-piperidin-3-ylimidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfonamide (CID 123401555) is 5-[[6-(4-cyclopropylbutyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N,3-trimethylthiophene-2-sulfonamide;N,N,3-trimethyl-5-[[3-(1-methylpyrazol-4-yl)-6-piperidin-3-ylimidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfonamide.

What is the SMILES notation for 5-[[6-(4-cyclopropylbutyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N,3-trimethylthiophene-2-sulfonamide;N,N,3-trimethyl-5-[[3-(1-methylpyrazol-4-yl)-6-piperidin-3-ylimidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfonamide?

The canonical SMILES for 5-[[6-(4-cyclopropylbutyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N,3-trimethylthiophene-2-sulfonamide;N,N,3-trimethyl-5-[[3-(1-methylpyrazol-4-yl)-6-piperidin-3-ylimidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfonamide is Cc1cc(Nc2nc(C3CCCNC3)cn3c(-c4cnn(C)c4)cnc23)sc1S(=O)(=O)N(C)C.Cc1cc(Nc2nc(CCCCC3CC3)cn3c(-c4cnn(C)c4)cnc23)sc1S(=O)(=O)N(C)C.

What is the InChIKey of 5-[[6-(4-cyclopropylbutyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N,3-trimethylthiophene-2-sulfonamide;N,N,3-trimethyl-5-[[3-(1-methylpyrazol-4-yl)-6-piperidin-3-ylimidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfonamide?

The InChIKey is GXQXWJCCQVKOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N7O2S2.C22H28N8O2S2/c1-16-11-21(34-24(16)35(32,33)29(2)3)28-22-23-25-13-20(18-12-26-30(4)14-18)31(23)15-19(27-22)8-6-5-7-17-9-10-17;1-14-8-19(33-22(14)34(31,32)28(2)3)27-20-21-24-11-18(16-10-25-29(4)12-16)30(21)13-17(26-20)15-6-5-7-23-9-15/h11-15,17H,5-10H2,1-4H3,(H,27,28);8,10-13,15,23H,5-7,9H2,1-4H3,(H,26,27).

What are the key properties of 5-[[6-(4-cyclopropylbutyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N,3-trimethylthiophene-2-sulfonamide;N,N,3-trimethyl-5-[[3-(1-methylpyrazol-4-yl)-6-piperidin-3-ylimidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfonamide?

5-[[6-(4-cyclopropylbutyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N,3-trimethylthiophene-2-sulfonamide;N,N,3-trimethyl-5-[[3-(1-methylpyrazol-4-yl)-6-piperidin-3-ylimidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfonamide has a molecular weight of 1014.35 g/mol, XLogP of 7.58, 16 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[6-(4-cyclopropylbutyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N,3-trimethylthiophene-2-sulfonamide;N,N,3-trimethyl-5-[[3-(1-methylpyrazol-4-yl)-6-piperidin-3-ylimidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfonamide is sourced from PubChem (CID 123401555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).