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

C24H31N7O2S2 — CID 58364813

About 5-[[6-(4-cyclopropylbutyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N,3-trimethylthiophene-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 (PubChem CID 58364813) has the molecular formula C24H31N7O2S2 and a molecular weight of 513.69 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.

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
• PubChem CID: 58364813
• Molecular Formula: C24H31N7O2S2
• Molecular Weight: 513.69 g/mol
• Exact Mass: 513.20
• 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
• SMILES: Cc1cc(Nc2nc(CCCCC3CC3)cn3c(-c4cnn(C)c4)cnc23)sc1S(=O)(=O)N(C)C
• InChI: InChI=1S/C24H31N7O2S2/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/h11-15,17H,5-10H2,1-4H3,(H,27,28)
• InChIKey: GJKQUZJCJWFLCD-UHFFFAOYSA-N
• XLogP: 4.62
• TPSA: 97.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	513.69
LogP ≤ 5	4.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

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?

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 (CID 58364813) is 5-[[6-(4-cyclopropylbutyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N,3-trimethylthiophene-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?

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 is 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?

The InChIKey is GJKQUZJCJWFLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N7O2S2/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/h11-15,17H,5-10H2,1-4H3,(H,27,28).

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?

5-[[6-(4-cyclopropylbutyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N,3-trimethylthiophene-2-sulfonamide has a molecular weight of 513.69 g/mol, XLogP of 4.62, 10 rotatable bonds, 1 hydrogen bond donors, and 9 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 is sourced from PubChem (CID 58364813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).