3-[1-(4-fluorophenyl)sulfanylpyrrolidin-3-yl]-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine

C23H21FN8S2 — CID 143460535

About 3-[1-(4-fluorophenyl)sulfanylpyrrolidin-3-yl]-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine

3-[1-(4-fluorophenyl)sulfanylpyrrolidin-3-yl]-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine (PubChem CID 143460535) has the molecular formula C23H21FN8S2 and a molecular weight of 492.61 g/mol. Its IUPAC name is 3-[1-(4-fluorophenyl)sulfanylpyrrolidin-3-yl]-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine.

Molecular Properties

• Compound Name: 3-[1-(4-fluorophenyl)sulfanylpyrrolidin-3-yl]-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
• PubChem CID: 143460535
• Molecular Formula: C23H21FN8S2
• Molecular Weight: 492.61 g/mol
• Exact Mass: 492.13
• IUPAC Name: 3-[1-(4-fluorophenyl)sulfanylpyrrolidin-3-yl]-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
• SMILES: Cn1cc(-c2cnc3c(Nc4cc(C5CCN(Sc6ccc(F)cc6)C5)ns4)nccn23)cn1
• InChI: InChI=1S/C23H21FN8S2/c1-30-13-16(11-27-30)20-12-26-23-22(25-7-9-32(20)23)28-21-10-19(29-33-21)15-6-8-31(14-15)34-18-4-2-17(24)3-5-18/h2-5,7,9-13,15H,6,8,14H2,1H3,(H,25,28)
• InChIKey: RPRCGAHXLBPHJK-UHFFFAOYSA-N
• XLogP: 4.97
• TPSA: 76.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	492.61
LogP ≤ 5	4.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-fluorophenyl)sulfanylpyrrolidin-3-yl]-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?

The IUPAC name of 3-[1-(4-fluorophenyl)sulfanylpyrrolidin-3-yl]-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine (CID 143460535) is 3-[1-(4-fluorophenyl)sulfanylpyrrolidin-3-yl]-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine.

What is the SMILES notation for 3-[1-(4-fluorophenyl)sulfanylpyrrolidin-3-yl]-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?

The canonical SMILES for 3-[1-(4-fluorophenyl)sulfanylpyrrolidin-3-yl]-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine is Cn1cc(-c2cnc3c(Nc4cc(C5CCN(Sc6ccc(F)cc6)C5)ns4)nccn23)cn1.

What is the InChIKey of 3-[1-(4-fluorophenyl)sulfanylpyrrolidin-3-yl]-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?

The InChIKey is RPRCGAHXLBPHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN8S2/c1-30-13-16(11-27-30)20-12-26-23-22(25-7-9-32(20)23)28-21-10-19(29-33-21)15-6-8-31(14-15)34-18-4-2-17(24)3-5-18/h2-5,7,9-13,15H,6,8,14H2,1H3,(H,25,28).

What are the key properties of 3-[1-(4-fluorophenyl)sulfanylpyrrolidin-3-yl]-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?

3-[1-(4-fluorophenyl)sulfanylpyrrolidin-3-yl]-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine has a molecular weight of 492.61 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-(4-fluorophenyl)sulfanylpyrrolidin-3-yl]-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine is sourced from PubChem (CID 143460535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).