N-[6-(3-chlorophenyl)sulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;N-[6-(4-fluorophenyl)sulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;N-[2-[8-[(3-methyl-1,2-thiazol-5-yl)amino]-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]sulfanylethyl]acetamide;N-[4-[8-[(3-methyl-1,2-thiazol-5-yl)amino]-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]sulfanylphenyl]cyclopropanecarboxamide;1-[8-[(3-methyl-1,2-thiazol-5-yl)amino]-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]sulfanylpropan-2-ol

C94H83ClFN37O3S10 — CID 157439774

About N-[6-(3-chlorophenyl)sulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;N-[6-(4-fluorophenyl)sulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;N-[2-[8-[(3-methyl-1,2-thiazol-5-yl)amino]-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]sulfanylethyl]acetamide;N-[4-[8-[(3-methyl-1,2-thiazol-5-yl)amino]-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]sulfanylphenyl]cyclopropanecarboxamide;1-[8-[(3-methyl-1,2-thiazol-5-yl)amino]-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]sulfanylpropan-2-ol

N-[6-(3-chlorophenyl)sulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;N-[6-(4-fluorophenyl)sulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;N-[2-[8-[(3-methyl-1,2-thiazol-5-yl)amino]-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]sulfanylethyl]acetamide;N-[4-[8-[(3-methyl-1,2-thiazol-5-yl)amino]-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]sulfanylphenyl]cyclopropanecarboxamide;1-[8-[(3-methyl-1,2-thiazol-5-yl)amino]-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]sulfanylpropan-2-ol (PubChem CID 157439774) has the molecular formula C94H83ClFN37O3S10 and a molecular weight of 2154.07 g/mol. Its IUPAC name is N-[6-(3-chlorophenyl)sulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;N-[6-(4-fluorophenyl)sulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;N-[2-[8-[(3-methyl-1,2-thiazol-5-yl)amino]-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]sulfanylethyl]acetamide;N-[4-[8-[(3-methyl-1,2-thiazol-5-yl)amino]-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]sulfanylphenyl]cyclopropanecarboxamide;1-[8-[(3-methyl-1,2-thiazol-5-yl)amino]-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]sulfanylpropan-2-ol.

Molecular Properties

• Compound Name: N-[6-(3-chlorophenyl)sulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;N-[6-(4-fluorophenyl)sulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;N-[2-[8-[(3-methyl-1,2-thiazol-5-yl)amino]-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]sulfanylethyl]acetamide;N-[4-[8-[(3-methyl-1,2-thiazol-5-yl)amino]-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]sulfanylphenyl]cyclopropanecarboxamide;1-[8-[(3-methyl-1,2-thiazol-5-yl)amino]-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]sulfanylpropan-2-ol
• PubChem CID: 157439774
• Molecular Formula: C94H83ClFN37O3S10
• Molecular Weight: 2154.07 g/mol
• Exact Mass: 2151.44
• IUPAC Name: N-[6-(3-chlorophenyl)sulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;N-[6-(4-fluorophenyl)sulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;N-[2-[8-[(3-methyl-1,2-thiazol-5-yl)amino]-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]sulfanylethyl]acetamide;N-[4-[8-[(3-methyl-1,2-thiazol-5-yl)amino]-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]sulfanylphenyl]cyclopropanecarboxamide;1-[8-[(3-methyl-1,2-thiazol-5-yl)amino]-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]sulfanylpropan-2-ol
• SMILES: CC(=O)NCCSc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(C)ns2)n1.Cc1cc(Nc2nc(SCC(C)O)cn3c(-c4cn[nH]c4)cnc23)sn1.Cc1cc(Nc2nc(Sc3ccc(F)cc3)cn3c(-c4cn[nH]c4)cnc23)sn1.Cc1cc(Nc2nc(Sc3ccc(NC(=O)C4CC4)cc3)cn3c(-c4cn[nH]c4)cnc23)sn1.Cc1cc(Nc2nc(Sc3cccc(Cl)c3)cn3c(-c4cn[nH]c4)cnc23)sn1
• InChI: InChI=1S/C23H20N8OS2.C19H14ClN7S2.C19H14FN7S2.C17H18N8OS2.C16H17N7OS2/c1-13-8-19(34-30-13)28-21-22-24-11-18(15-9-25-26-10-15)31(22)12-20(29-21)33-17-6-4-16(5-7-17)27-23(32)14-2-3-14;1-11-5-16(29-26-11)24-18-19-21-9-15(12-7-22-23-8-12)27(19)10-17(25-18)28-14-4-2-3-13(20)6-14;1-11-6-16(29-26-11)24-18-19-21-9-15(12-7-22-23-8-12)27(19)10-17(25-18)28-14-4-2-13(20)3-5-14;1-10-5-14(28-24-10)22-16-17-19-8-13(12-6-20-21-7-12)25(17)9-15(23-16)27-4-3-18-11(2)26;1-9-3-13(26-22-9)20-15-16-17-6-12(11-4-18-19-5-11)23(16)7-14(21-15)25-8-10(2)24/h4-12,14H,2-3H2,1H3,(H,25,26)(H,27,32)(H,28,29);2*2-10H,1H3,(H,22,23)(H,24,25);5-9H,3-4H2,1-2H3,(H,18,26)(H,20,21)(H,22,23);3-7,10,24H,8H2,1-2H3,(H,18,19)(H,20,21)
• InChIKey: BRNJOOFMSYISNG-UHFFFAOYSA-N
• XLogP: 21.44
• TPSA: 497.38 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 43
• Rotatable Bonds: 30
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2154.07
LogP ≤ 5	21.44
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-chlorophenyl)sulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;N-[6-(4-fluorophenyl)sulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;N-[2-[8-[(3-methyl-1,2-thiazol-5-yl)amino]-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]sulfanylethyl]acetamide;N-[4-[8-[(3-methyl-1,2-thiazol-5-yl)amino]-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]sulfanylphenyl]cyclopropanecarboxamide;1-[8-[(3-methyl-1,2-thiazol-5-yl)amino]-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]sulfanylpropan-2-ol?

The IUPAC name of N-[6-(3-chlorophenyl)sulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;N-[6-(4-fluorophenyl)sulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;N-[2-[8-[(3-methyl-1,2-thiazol-5-yl)amino]-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]sulfanylethyl]acetamide;N-[4-[8-[(3-methyl-1,2-thiazol-5-yl)amino]-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]sulfanylphenyl]cyclopropanecarboxamide;1-[8-[(3-methyl-1,2-thiazol-5-yl)amino]-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]sulfanylpropan-2-ol (CID 157439774) is N-[6-(3-chlorophenyl)sulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;N-[6-(4-fluorophenyl)sulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;N-[2-[8-[(3-methyl-1,2-thiazol-5-yl)amino]-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]sulfanylethyl]acetamide;N-[4-[8-[(3-methyl-1,2-thiazol-5-yl)amino]-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]sulfanylphenyl]cyclopropanecarboxamide;1-[8-[(3-methyl-1,2-thiazol-5-yl)amino]-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]sulfanylpropan-2-ol.

What is the SMILES notation for N-[6-(3-chlorophenyl)sulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;N-[6-(4-fluorophenyl)sulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;N-[2-[8-[(3-methyl-1,2-thiazol-5-yl)amino]-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]sulfanylethyl]acetamide;N-[4-[8-[(3-methyl-1,2-thiazol-5-yl)amino]-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]sulfanylphenyl]cyclopropanecarboxamide;1-[8-[(3-methyl-1,2-thiazol-5-yl)amino]-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]sulfanylpropan-2-ol?

The canonical SMILES for N-[6-(3-chlorophenyl)sulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;N-[6-(4-fluorophenyl)sulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;N-[2-[8-[(3-methyl-1,2-thiazol-5-yl)amino]-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]sulfanylethyl]acetamide;N-[4-[8-[(3-methyl-1,2-thiazol-5-yl)amino]-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]sulfanylphenyl]cyclopropanecarboxamide;1-[8-[(3-methyl-1,2-thiazol-5-yl)amino]-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]sulfanylpropan-2-ol is CC(=O)NCCSc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(C)ns2)n1.Cc1cc(Nc2nc(SCC(C)O)cn3c(-c4cn[nH]c4)cnc23)sn1.Cc1cc(Nc2nc(Sc3ccc(F)cc3)cn3c(-c4cn[nH]c4)cnc23)sn1.Cc1cc(Nc2nc(Sc3ccc(NC(=O)C4CC4)cc3)cn3c(-c4cn[nH]c4)cnc23)sn1.Cc1cc(Nc2nc(Sc3cccc(Cl)c3)cn3c(-c4cn[nH]c4)cnc23)sn1.

What is the InChIKey of N-[6-(3-chlorophenyl)sulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;N-[6-(4-fluorophenyl)sulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;N-[2-[8-[(3-methyl-1,2-thiazol-5-yl)amino]-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]sulfanylethyl]acetamide;N-[4-[8-[(3-methyl-1,2-thiazol-5-yl)amino]-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]sulfanylphenyl]cyclopropanecarboxamide;1-[8-[(3-methyl-1,2-thiazol-5-yl)amino]-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]sulfanylpropan-2-ol?

The InChIKey is BRNJOOFMSYISNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N8OS2.C19H14ClN7S2.C19H14FN7S2.C17H18N8OS2.C16H17N7OS2/c1-13-8-19(34-30-13)28-21-22-24-11-18(15-9-25-26-10-15)31(22)12-20(29-21)33-17-6-4-16(5-7-17)27-23(32)14-2-3-14;1-11-5-16(29-26-11)24-18-19-21-9-15(12-7-22-23-8-12)27(19)10-17(25-18)28-14-4-2-3-13(20)6-14;1-11-6-16(29-26-11)24-18-19-21-9-15(12-7-22-23-8-12)27(19)10-17(25-18)28-14-4-2-13(20)3-5-14;1-10-5-14(28-24-10)22-16-17-19-8-13(12-6-20-21-7-12)25(17)9-15(23-16)27-4-3-18-11(2)26;1-9-3-13(26-22-9)20-15-16-17-6-12(11-4-18-19-5-11)23(16)7-14(21-15)25-8-10(2)24/h4-12,14H,2-3H2,1H3,(H,25,26)(H,27,32)(H,28,29);2*2-10H,1H3,(H,22,23)(H,24,25);5-9H,3-4H2,1-2H3,(H,18,26)(H,20,21)(H,22,23);3-7,10,24H,8H2,1-2H3,(H,18,19)(H,20,21).

What are the key properties of N-[6-(3-chlorophenyl)sulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;N-[6-(4-fluorophenyl)sulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;N-[2-[8-[(3-methyl-1,2-thiazol-5-yl)amino]-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]sulfanylethyl]acetamide;N-[4-[8-[(3-methyl-1,2-thiazol-5-yl)amino]-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]sulfanylphenyl]cyclopropanecarboxamide;1-[8-[(3-methyl-1,2-thiazol-5-yl)amino]-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]sulfanylpropan-2-ol?

N-[6-(3-chlorophenyl)sulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;N-[6-(4-fluorophenyl)sulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;N-[2-[8-[(3-methyl-1,2-thiazol-5-yl)amino]-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]sulfanylethyl]acetamide;N-[4-[8-[(3-methyl-1,2-thiazol-5-yl)amino]-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]sulfanylphenyl]cyclopropanecarboxamide;1-[8-[(3-methyl-1,2-thiazol-5-yl)amino]-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]sulfanylpropan-2-ol has a molecular weight of 2154.07 g/mol, XLogP of 21.44, 30 rotatable bonds, 13 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-(3-chlorophenyl)sulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;N-[6-(4-fluorophenyl)sulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;N-[2-[8-[(3-methyl-1,2-thiazol-5-yl)amino]-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]sulfanylethyl]acetamide;N-[4-[8-[(3-methyl-1,2-thiazol-5-yl)amino]-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]sulfanylphenyl]cyclopropanecarboxamide;1-[8-[(3-methyl-1,2-thiazol-5-yl)amino]-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]sulfanylpropan-2-ol is sourced from PubChem (CID 157439774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).