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;3-methyl-N-[3-(1H-pyrazol-4-yl)-6-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;N,N,3-trimethyl-5-[[3-(1-methylpyrazol-4-yl)-6-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfonamide

C83H87N33O2S6 — CID 157438941

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;3-methyl-N-[3-(1H-pyrazol-4-yl)-6-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;N,N,3-trimethyl-5-[[3-(1-methylpyrazol-4-yl)-6-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfonamide

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;3-methyl-N-[3-(1H-pyrazol-4-yl)-6-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;N,N,3-trimethyl-5-[[3-(1-methylpyrazol-4-yl)-6-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfonamide (PubChem CID 157438941) has the molecular formula C83H87N33O2S6 and a molecular weight of 1771.24 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;3-methyl-N-[3-(1H-pyrazol-4-yl)-6-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;N,N,3-trimethyl-5-[[3-(1-methylpyrazol-4-yl)-6-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfonamide.

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;3-methyl-N-[3-(1H-pyrazol-4-yl)-6-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;N,N,3-trimethyl-5-[[3-(1-methylpyrazol-4-yl)-6-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfonamide
• PubChem CID: 157438941
• Molecular Formula: C83H87N33O2S6
• Molecular Weight: 1771.24 g/mol
• Exact Mass: 1769.60
• 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;3-methyl-N-[3-(1H-pyrazol-4-yl)-6-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;N,N,3-trimethyl-5-[[3-(1-methylpyrazol-4-yl)-6-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfonamide
• SMILES: Cc1cc(Nc2nc(-c3sccc3CN)cn3c(-c4cnn(C)c4)cnc23)sn1.Cc1cc(Nc2nc(CC3CCNC3)cn3c(-c4cn[nH]c4)cnc23)sn1.Cc1cc(Nc2nc(CC3CCNC3)cn3c(-c4cnn(C)c4)cnc23)sc1S(=O)(=O)N(C)C.Cn1cc(-c2cnc3c(Nc4ccc(-n5ccnc5)cc4)nc(-c4sccc4CN)cn23)cn1
• InChI: InChI=1S/C24H21N9S.C22H28N8O2S2.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;1-14-7-19(33-22(14)34(31,32)28(2)3)27-20-21-24-11-18(16-10-25-29(4)12-16)30(21)13-17(26-20)8-15-5-6-23-9-15;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);7,10-13,15,23H,5-6,8-9H2,1-4H3,(H,26,27);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: BRKZFVLTUXZBGG-UHFFFAOYSA-N
• XLogP: 13.50
• TPSA: 408.10 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 38
• Rotatable Bonds: 23
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1771.24
LogP ≤ 5	13.50
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	38

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;3-methyl-N-[3-(1H-pyrazol-4-yl)-6-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;N,N,3-trimethyl-5-[[3-(1-methylpyrazol-4-yl)-6-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfonamide?

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;3-methyl-N-[3-(1H-pyrazol-4-yl)-6-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;N,N,3-trimethyl-5-[[3-(1-methylpyrazol-4-yl)-6-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfonamide (CID 157438941) 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;3-methyl-N-[3-(1H-pyrazol-4-yl)-6-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;N,N,3-trimethyl-5-[[3-(1-methylpyrazol-4-yl)-6-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfonamide.

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;3-methyl-N-[3-(1H-pyrazol-4-yl)-6-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;N,N,3-trimethyl-5-[[3-(1-methylpyrazol-4-yl)-6-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfonamide?

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;3-methyl-N-[3-(1H-pyrazol-4-yl)-6-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;N,N,3-trimethyl-5-[[3-(1-methylpyrazol-4-yl)-6-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfonamide is Cc1cc(Nc2nc(-c3sccc3CN)cn3c(-c4cnn(C)c4)cnc23)sn1.Cc1cc(Nc2nc(CC3CCNC3)cn3c(-c4cn[nH]c4)cnc23)sn1.Cc1cc(Nc2nc(CC3CCNC3)cn3c(-c4cnn(C)c4)cnc23)sc1S(=O)(=O)N(C)C.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;3-methyl-N-[3-(1H-pyrazol-4-yl)-6-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;N,N,3-trimethyl-5-[[3-(1-methylpyrazol-4-yl)-6-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfonamide?

The InChIKey is BRKZFVLTUXZBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N9S.C22H28N8O2S2.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;1-14-7-19(33-22(14)34(31,32)28(2)3)27-20-21-24-11-18(16-10-25-29(4)12-16)30(21)13-17(26-20)8-15-5-6-23-9-15;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);7,10-13,15,23H,5-6,8-9H2,1-4H3,(H,26,27);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;3-methyl-N-[3-(1H-pyrazol-4-yl)-6-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;N,N,3-trimethyl-5-[[3-(1-methylpyrazol-4-yl)-6-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfonamide?

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;3-methyl-N-[3-(1H-pyrazol-4-yl)-6-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;N,N,3-trimethyl-5-[[3-(1-methylpyrazol-4-yl)-6-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfonamide has a molecular weight of 1771.24 g/mol, XLogP of 13.50, 23 rotatable bonds, 9 hydrogen bond donors, and 38 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;3-methyl-N-[3-(1H-pyrazol-4-yl)-6-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;N,N,3-trimethyl-5-[[3-(1-methylpyrazol-4-yl)-6-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfonamide is sourced from PubChem (CID 157438941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).