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

C23H30N8O2S2 — CID 58873917

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

N,N,3-trimethyl-5-[[3-(1-methylpyrazol-4-yl)-6-(piperidin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfonamide (PubChem CID 58873917) has the molecular formula C23H30N8O2S2 and a molecular weight of 514.68 g/mol. Its IUPAC name is N,N,3-trimethyl-5-[[3-(1-methylpyrazol-4-yl)-6-(piperidin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfonamide.

Molecular Properties

• Compound Name: N,N,3-trimethyl-5-[[3-(1-methylpyrazol-4-yl)-6-(piperidin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfonamide
• PubChem CID: 58873917
• Molecular Formula: C23H30N8O2S2
• Molecular Weight: 514.68 g/mol
• Exact Mass: 514.19
• IUPAC Name: N,N,3-trimethyl-5-[[3-(1-methylpyrazol-4-yl)-6-(piperidin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfonamide
• SMILES: Cc1cc(Nc2nc(CC3CCCNC3)cn3c(-c4cnn(C)c4)cnc23)sc1S(=O)(=O)N(C)C
• InChI: InChI=1S/C23H30N8O2S2/c1-15-8-20(34-23(15)35(32,33)29(2)3)28-21-22-25-12-19(17-11-26-30(4)13-17)31(22)14-18(27-21)9-16-6-5-7-24-10-16/h8,11-14,16,24H,5-7,9-10H2,1-4H3,(H,27,28)
• InChIKey: OPKLCOBMECCGAB-UHFFFAOYSA-N
• XLogP: 3.04
• TPSA: 109.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	514.68
LogP ≤ 5	3.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of N,N,3-trimethyl-5-[[3-(1-methylpyrazol-4-yl)-6-(piperidin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfonamide (CID 58873917) is N,N,3-trimethyl-5-[[3-(1-methylpyrazol-4-yl)-6-(piperidin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfonamide.

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

The canonical SMILES for N,N,3-trimethyl-5-[[3-(1-methylpyrazol-4-yl)-6-(piperidin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfonamide is Cc1cc(Nc2nc(CC3CCCNC3)cn3c(-c4cnn(C)c4)cnc23)sc1S(=O)(=O)N(C)C.

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

The InChIKey is OPKLCOBMECCGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N8O2S2/c1-15-8-20(34-23(15)35(32,33)29(2)3)28-21-22-25-12-19(17-11-26-30(4)13-17)31(22)14-18(27-21)9-16-6-5-7-24-10-16/h8,11-14,16,24H,5-7,9-10H2,1-4H3,(H,27,28).

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

N,N,3-trimethyl-5-[[3-(1-methylpyrazol-4-yl)-6-(piperidin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfonamide has a molecular weight of 514.68 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N,N,3-trimethyl-5-[[3-(1-methylpyrazol-4-yl)-6-(piperidin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfonamide is sourced from PubChem (CID 58873917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).