6-[3-(aminomethyl)thiophen-2-yl]-N-(4-imidazol-1-ylphenyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;N-[6-[3-(aminomethyl)thiophen-2-yl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;N-[6-(3-methoxypropyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-pyrrolidin-3-yl-1,2-thiazol-5-amine;3-methyl-N-[3-(1H-pyrazol-4-yl)-6-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[3-(1-methylpyrazol-4-yl)-8-[(3-pyrrolidin-3-yl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-6-yl]propan-1-ol

C102H109N41O2S6 — CID 158496557

About 6-[3-(aminomethyl)thiophen-2-yl]-N-(4-imidazol-1-ylphenyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;N-[6-[3-(aminomethyl)thiophen-2-yl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;N-[6-(3-methoxypropyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-pyrrolidin-3-yl-1,2-thiazol-5-amine;3-methyl-N-[3-(1H-pyrazol-4-yl)-6-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[3-(1-methylpyrazol-4-yl)-8-[(3-pyrrolidin-3-yl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-6-yl]propan-1-ol

6-[3-(aminomethyl)thiophen-2-yl]-N-(4-imidazol-1-ylphenyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;N-[6-[3-(aminomethyl)thiophen-2-yl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;N-[6-(3-methoxypropyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-pyrrolidin-3-yl-1,2-thiazol-5-amine;3-methyl-N-[3-(1H-pyrazol-4-yl)-6-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[3-(1-methylpyrazol-4-yl)-8-[(3-pyrrolidin-3-yl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-6-yl]propan-1-ol (PubChem CID 158496557) has the molecular formula C102H109N41O2S6 and a molecular weight of 2133.68 g/mol. Its IUPAC name is 6-[3-(aminomethyl)thiophen-2-yl]-N-(4-imidazol-1-ylphenyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;N-[6-[3-(aminomethyl)thiophen-2-yl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;N-[6-(3-methoxypropyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-pyrrolidin-3-yl-1,2-thiazol-5-amine;3-methyl-N-[3-(1H-pyrazol-4-yl)-6-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[3-(1-methylpyrazol-4-yl)-8-[(3-pyrrolidin-3-yl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-6-yl]propan-1-ol.

Molecular Properties

• Compound Name: 6-[3-(aminomethyl)thiophen-2-yl]-N-(4-imidazol-1-ylphenyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;N-[6-[3-(aminomethyl)thiophen-2-yl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;N-[6-(3-methoxypropyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-pyrrolidin-3-yl-1,2-thiazol-5-amine;3-methyl-N-[3-(1H-pyrazol-4-yl)-6-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[3-(1-methylpyrazol-4-yl)-8-[(3-pyrrolidin-3-yl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-6-yl]propan-1-ol
• PubChem CID: 158496557
• Molecular Formula: C102H109N41O2S6
• Molecular Weight: 2133.68 g/mol
• Exact Mass: 2131.80
• IUPAC Name: 6-[3-(aminomethyl)thiophen-2-yl]-N-(4-imidazol-1-ylphenyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;N-[6-[3-(aminomethyl)thiophen-2-yl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;N-[6-(3-methoxypropyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-pyrrolidin-3-yl-1,2-thiazol-5-amine;3-methyl-N-[3-(1H-pyrazol-4-yl)-6-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[3-(1-methylpyrazol-4-yl)-8-[(3-pyrrolidin-3-yl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-6-yl]propan-1-ol
• SMILES: COCCCc1cn2c(-c3cnn(C)c3)cnc2c(Nc2cc(C3CCNC3)ns2)n1.Cc1cc(Nc2nc(-c3sccc3CN)cn3c(-c4cnn(C)c4)cnc23)sn1.Cc1cc(Nc2nc(CC3CCNC3)cn3c(-c4cn[nH]c4)cnc23)sn1.Cn1cc(-c2cnc3c(Nc4cc(C5CCNC5)ns4)nc(CCCO)cn23)cn1.Cn1cc(-c2cnc3c(Nc4ccc(-n5ccnc5)cc4)nc(-c4sccc4CN)cn23)cn1
• InChI: InChI=1S/C24H21N9S.C21H26N8OS.C20H24N8OS.C19H18N8S2.C18H20N8S/c1-31-13-17(11-28-31)21-12-27-24-23(29-18-2-4-19(5-3-18)32-8-7-26-15-32)30-20(14-33(21)24)22-16(10-25)6-9-34-22;1-28-12-15(10-24-28)18-11-23-21-20(25-16(13-29(18)21)4-3-7-30-2)26-19-8-17(27-31-19)14-5-6-22-9-14;1-27-11-14(9-23-27)17-10-22-20-19(24-15(3-2-6-29)12-28(17)20)25-18-7-16(26-30-18)13-4-5-21-8-13;1-11-5-16(29-25-11)24-18-19-21-8-15(13-7-22-26(2)9-13)27(19)10-14(23-18)17-12(6-20)3-4-28-17;1-11-4-16(27-25-11)24-17-18-20-9-15(13-7-21-22-8-13)26(18)10-14(23-17)5-12-2-3-19-6-12/h2-9,11-15H,10,25H2,1H3,(H,29,30);8,10-14,22H,3-7,9H2,1-2H3,(H,25,26);7,9-13,21,29H,2-6,8H2,1H3,(H,24,25);3-5,7-10H,6,20H2,1-2H3,(H,23,24);4,7-10,12,19H,2-3,5-6H2,1H3,(H,21,22)(H,23,24)
• InChIKey: HJJBWUFAXOMIRO-UHFFFAOYSA-N
• XLogP: 16.17
• TPSA: 498.03 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 48
• Rotatable Bonds: 31
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2133.68
LogP ≤ 5	16.17
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	48

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[3-(aminomethyl)thiophen-2-yl]-N-(4-imidazol-1-ylphenyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;N-[6-[3-(aminomethyl)thiophen-2-yl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;N-[6-(3-methoxypropyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-pyrrolidin-3-yl-1,2-thiazol-5-amine;3-methyl-N-[3-(1H-pyrazol-4-yl)-6-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[3-(1-methylpyrazol-4-yl)-8-[(3-pyrrolidin-3-yl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-6-yl]propan-1-ol?

The IUPAC name of 6-[3-(aminomethyl)thiophen-2-yl]-N-(4-imidazol-1-ylphenyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;N-[6-[3-(aminomethyl)thiophen-2-yl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;N-[6-(3-methoxypropyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-pyrrolidin-3-yl-1,2-thiazol-5-amine;3-methyl-N-[3-(1H-pyrazol-4-yl)-6-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[3-(1-methylpyrazol-4-yl)-8-[(3-pyrrolidin-3-yl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-6-yl]propan-1-ol (CID 158496557) is 6-[3-(aminomethyl)thiophen-2-yl]-N-(4-imidazol-1-ylphenyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;N-[6-[3-(aminomethyl)thiophen-2-yl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;N-[6-(3-methoxypropyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-pyrrolidin-3-yl-1,2-thiazol-5-amine;3-methyl-N-[3-(1H-pyrazol-4-yl)-6-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[3-(1-methylpyrazol-4-yl)-8-[(3-pyrrolidin-3-yl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-6-yl]propan-1-ol.

What is the SMILES notation for 6-[3-(aminomethyl)thiophen-2-yl]-N-(4-imidazol-1-ylphenyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;N-[6-[3-(aminomethyl)thiophen-2-yl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;N-[6-(3-methoxypropyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-pyrrolidin-3-yl-1,2-thiazol-5-amine;3-methyl-N-[3-(1H-pyrazol-4-yl)-6-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[3-(1-methylpyrazol-4-yl)-8-[(3-pyrrolidin-3-yl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-6-yl]propan-1-ol?

The canonical SMILES for 6-[3-(aminomethyl)thiophen-2-yl]-N-(4-imidazol-1-ylphenyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;N-[6-[3-(aminomethyl)thiophen-2-yl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;N-[6-(3-methoxypropyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-pyrrolidin-3-yl-1,2-thiazol-5-amine;3-methyl-N-[3-(1H-pyrazol-4-yl)-6-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[3-(1-methylpyrazol-4-yl)-8-[(3-pyrrolidin-3-yl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-6-yl]propan-1-ol is COCCCc1cn2c(-c3cnn(C)c3)cnc2c(Nc2cc(C3CCNC3)ns2)n1.Cc1cc(Nc2nc(-c3sccc3CN)cn3c(-c4cnn(C)c4)cnc23)sn1.Cc1cc(Nc2nc(CC3CCNC3)cn3c(-c4cn[nH]c4)cnc23)sn1.Cn1cc(-c2cnc3c(Nc4cc(C5CCNC5)ns4)nc(CCCO)cn23)cn1.Cn1cc(-c2cnc3c(Nc4ccc(-n5ccnc5)cc4)nc(-c4sccc4CN)cn23)cn1.

What is the InChIKey of 6-[3-(aminomethyl)thiophen-2-yl]-N-(4-imidazol-1-ylphenyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;N-[6-[3-(aminomethyl)thiophen-2-yl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;N-[6-(3-methoxypropyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-pyrrolidin-3-yl-1,2-thiazol-5-amine;3-methyl-N-[3-(1H-pyrazol-4-yl)-6-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[3-(1-methylpyrazol-4-yl)-8-[(3-pyrrolidin-3-yl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-6-yl]propan-1-ol?

The InChIKey is HJJBWUFAXOMIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N9S.C21H26N8OS.C20H24N8OS.C19H18N8S2.C18H20N8S/c1-31-13-17(11-28-31)21-12-27-24-23(29-18-2-4-19(5-3-18)32-8-7-26-15-32)30-20(14-33(21)24)22-16(10-25)6-9-34-22;1-28-12-15(10-24-28)18-11-23-21-20(25-16(13-29(18)21)4-3-7-30-2)26-19-8-17(27-31-19)14-5-6-22-9-14;1-27-11-14(9-23-27)17-10-22-20-19(24-15(3-2-6-29)12-28(17)20)25-18-7-16(26-30-18)13-4-5-21-8-13;1-11-5-16(29-25-11)24-18-19-21-8-15(13-7-22-26(2)9-13)27(19)10-14(23-18)17-12(6-20)3-4-28-17;1-11-4-16(27-25-11)24-17-18-20-9-15(13-7-21-22-8-13)26(18)10-14(23-17)5-12-2-3-19-6-12/h2-9,11-15H,10,25H2,1H3,(H,29,30);8,10-14,22H,3-7,9H2,1-2H3,(H,25,26);7,9-13,21,29H,2-6,8H2,1H3,(H,24,25);3-5,7-10H,6,20H2,1-2H3,(H,23,24);4,7-10,12,19H,2-3,5-6H2,1H3,(H,21,22)(H,23,24).

What are the key properties of 6-[3-(aminomethyl)thiophen-2-yl]-N-(4-imidazol-1-ylphenyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;N-[6-[3-(aminomethyl)thiophen-2-yl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;N-[6-(3-methoxypropyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-pyrrolidin-3-yl-1,2-thiazol-5-amine;3-methyl-N-[3-(1H-pyrazol-4-yl)-6-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[3-(1-methylpyrazol-4-yl)-8-[(3-pyrrolidin-3-yl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-6-yl]propan-1-ol?

6-[3-(aminomethyl)thiophen-2-yl]-N-(4-imidazol-1-ylphenyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;N-[6-[3-(aminomethyl)thiophen-2-yl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;N-[6-(3-methoxypropyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-pyrrolidin-3-yl-1,2-thiazol-5-amine;3-methyl-N-[3-(1H-pyrazol-4-yl)-6-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[3-(1-methylpyrazol-4-yl)-8-[(3-pyrrolidin-3-yl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-6-yl]propan-1-ol has a molecular weight of 2133.68 g/mol, XLogP of 16.17, 31 rotatable bonds, 12 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-(aminomethyl)thiophen-2-yl]-N-(4-imidazol-1-ylphenyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;N-[6-[3-(aminomethyl)thiophen-2-yl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;N-[6-(3-methoxypropyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-pyrrolidin-3-yl-1,2-thiazol-5-amine;3-methyl-N-[3-(1H-pyrazol-4-yl)-6-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[3-(1-methylpyrazol-4-yl)-8-[(3-pyrrolidin-3-yl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-6-yl]propan-1-ol is sourced from PubChem (CID 158496557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).