ethyl 4-[5-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]piperidine-1-carboxylate;3-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(1-methylsulfonylpiperidin-3-yl)-1,2-thiazol-5-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(1-methylsulfonylpiperidin-4-yl)-1,2-thiazol-5-amine

C82H89FN32O8S7 — CID 158372920

About ethyl 4-[5-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]piperidine-1-carboxylate;3-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(1-methylsulfonylpiperidin-3-yl)-1,2-thiazol-5-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(1-methylsulfonylpiperidin-4-yl)-1,2-thiazol-5-amine

ethyl 4-[5-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]piperidine-1-carboxylate;3-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(1-methylsulfonylpiperidin-3-yl)-1,2-thiazol-5-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(1-methylsulfonylpiperidin-4-yl)-1,2-thiazol-5-amine (PubChem CID 158372920) has the molecular formula C82H89FN32O8S7 and a molecular weight of 1894.30 g/mol. Its IUPAC name is ethyl 4-[5-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]piperidine-1-carboxylate;3-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(1-methylsulfonylpiperidin-3-yl)-1,2-thiazol-5-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(1-methylsulfonylpiperidin-4-yl)-1,2-thiazol-5-amine.

Molecular Properties

• Compound Name: ethyl 4-[5-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]piperidine-1-carboxylate;3-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(1-methylsulfonylpiperidin-3-yl)-1,2-thiazol-5-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(1-methylsulfonylpiperidin-4-yl)-1,2-thiazol-5-amine
• PubChem CID: 158372920
• Molecular Formula: C82H89FN32O8S7
• Molecular Weight: 1894.30 g/mol
• Exact Mass: 1892.56
• IUPAC Name: ethyl 4-[5-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]piperidine-1-carboxylate;3-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(1-methylsulfonylpiperidin-3-yl)-1,2-thiazol-5-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(1-methylsulfonylpiperidin-4-yl)-1,2-thiazol-5-amine
• SMILES: CCOC(=O)N1CCC(c2cc(Nc3nccn4c(-c5cnn(C)c5)cnc34)sn2)CC1.Cn1cc(-c2cnc3c(Nc4cc(C5CCCN(S(C)(=O)=O)C5)ns4)nccn23)cn1.Cn1cc(-c2cnc3c(Nc4cc(C5CCN(S(=O)(=O)c6ccc(F)cc6)C5)ns4)nccn23)cn1.Cn1cc(-c2cnc3c(Nc4cc(C5CCN(S(C)(=O)=O)CC5)ns4)nccn23)cn1
• InChI: InChI=1S/C23H21FN8O2S2.C21H24N8O2S.2C19H22N8O2S2/c1-30-13-16(11-27-30)20-12-26-23-22(25-7-9-32(20)23)28-21-10-19(29-35-21)15-6-8-31(14-15)36(33,34)18-4-2-17(24)3-5-18;1-3-31-21(30)28-7-4-14(5-8-28)16-10-18(32-26-16)25-19-20-23-12-17(29(20)9-6-22-19)15-11-24-27(2)13-15;1-25-12-14(10-22-25)16-11-21-19-18(20-5-8-27(16)19)23-17-9-15(24-30-17)13-3-6-26(7-4-13)31(2,28)29;1-25-11-14(9-22-25)16-10-21-19-18(20-5-7-27(16)19)23-17-8-15(24-30-17)13-4-3-6-26(12-13)31(2,28)29/h2-5,7,9-13,15H,6,8,14H2,1H3,(H,25,28);6,9-14H,3-5,7-8H2,1-2H3,(H,22,25);5,8-13H,3-4,6-7H2,1-2H3,(H,20,23);5,7-11,13H,3-4,6,12H2,1-2H3,(H,20,23)
• InChIKey: GUVLYBRVTSCMNN-UHFFFAOYSA-N
• XLogP: 12.25
• TPSA: 433.40 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 40
• Rotatable Bonds: 21
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1894.30
LogP ≤ 5	12.25
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	40

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[5-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]piperidine-1-carboxylate;3-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(1-methylsulfonylpiperidin-3-yl)-1,2-thiazol-5-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(1-methylsulfonylpiperidin-4-yl)-1,2-thiazol-5-amine?

The IUPAC name of ethyl 4-[5-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]piperidine-1-carboxylate;3-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(1-methylsulfonylpiperidin-3-yl)-1,2-thiazol-5-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(1-methylsulfonylpiperidin-4-yl)-1,2-thiazol-5-amine (CID 158372920) is ethyl 4-[5-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]piperidine-1-carboxylate;3-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(1-methylsulfonylpiperidin-3-yl)-1,2-thiazol-5-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(1-methylsulfonylpiperidin-4-yl)-1,2-thiazol-5-amine.

What is the SMILES notation for ethyl 4-[5-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]piperidine-1-carboxylate;3-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(1-methylsulfonylpiperidin-3-yl)-1,2-thiazol-5-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(1-methylsulfonylpiperidin-4-yl)-1,2-thiazol-5-amine?

The canonical SMILES for ethyl 4-[5-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]piperidine-1-carboxylate;3-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(1-methylsulfonylpiperidin-3-yl)-1,2-thiazol-5-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(1-methylsulfonylpiperidin-4-yl)-1,2-thiazol-5-amine is CCOC(=O)N1CCC(c2cc(Nc3nccn4c(-c5cnn(C)c5)cnc34)sn2)CC1.Cn1cc(-c2cnc3c(Nc4cc(C5CCCN(S(C)(=O)=O)C5)ns4)nccn23)cn1.Cn1cc(-c2cnc3c(Nc4cc(C5CCN(S(=O)(=O)c6ccc(F)cc6)C5)ns4)nccn23)cn1.Cn1cc(-c2cnc3c(Nc4cc(C5CCN(S(C)(=O)=O)CC5)ns4)nccn23)cn1.

What is the InChIKey of ethyl 4-[5-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]piperidine-1-carboxylate;3-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(1-methylsulfonylpiperidin-3-yl)-1,2-thiazol-5-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(1-methylsulfonylpiperidin-4-yl)-1,2-thiazol-5-amine?

The InChIKey is GUVLYBRVTSCMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN8O2S2.C21H24N8O2S.2C19H22N8O2S2/c1-30-13-16(11-27-30)20-12-26-23-22(25-7-9-32(20)23)28-21-10-19(29-35-21)15-6-8-31(14-15)36(33,34)18-4-2-17(24)3-5-18;1-3-31-21(30)28-7-4-14(5-8-28)16-10-18(32-26-16)25-19-20-23-12-17(29(20)9-6-22-19)15-11-24-27(2)13-15;1-25-12-14(10-22-25)16-11-21-19-18(20-5-8-27(16)19)23-17-9-15(24-30-17)13-3-6-26(7-4-13)31(2,28)29;1-25-11-14(9-22-25)16-10-21-19-18(20-5-7-27(16)19)23-17-8-15(24-30-17)13-4-3-6-26(12-13)31(2,28)29/h2-5,7,9-13,15H,6,8,14H2,1H3,(H,25,28);6,9-14H,3-5,7-8H2,1-2H3,(H,22,25);5,8-13H,3-4,6-7H2,1-2H3,(H,20,23);5,7-11,13H,3-4,6,12H2,1-2H3,(H,20,23).

What are the key properties of ethyl 4-[5-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]piperidine-1-carboxylate;3-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(1-methylsulfonylpiperidin-3-yl)-1,2-thiazol-5-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(1-methylsulfonylpiperidin-4-yl)-1,2-thiazol-5-amine?

ethyl 4-[5-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]piperidine-1-carboxylate;3-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(1-methylsulfonylpiperidin-3-yl)-1,2-thiazol-5-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(1-methylsulfonylpiperidin-4-yl)-1,2-thiazol-5-amine has a molecular weight of 1894.30 g/mol, XLogP of 12.25, 21 rotatable bonds, 4 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 4-[5-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]piperidine-1-carboxylate;3-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(1-methylsulfonylpiperidin-3-yl)-1,2-thiazol-5-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(1-methylsulfonylpiperidin-4-yl)-1,2-thiazol-5-amine is sourced from PubChem (CID 158372920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).