N-[3,6-bis(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;5-[[3-(5-cyanofuran-3-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N-diethyl-3-methylthiophene-2-sulfonamide;3-methyl-N-[3-(2-methyl-1H-pyrazol-2-ium-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2,4-thiadiazol-5-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-pyrrolidin-3-yl-1,2-thiazol-5-amine;4-[8-[(3-methyl-1,2-thiazol-5-yl)amino]-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-3-yl]furan-2-carbonitrile

C93H92N39O4S6+ — CID 158081584

About N-[3,6-bis(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;5-[[3-(5-cyanofuran-3-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N-diethyl-3-methylthiophene-2-sulfonamide;3-methyl-N-[3-(2-methyl-1H-pyrazol-2-ium-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2,4-thiadiazol-5-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-pyrrolidin-3-yl-1,2-thiazol-5-amine;4-[8-[(3-methyl-1,2-thiazol-5-yl)amino]-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-3-yl]furan-2-carbonitrile

N-[3,6-bis(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;5-[[3-(5-cyanofuran-3-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N-diethyl-3-methylthiophene-2-sulfonamide;3-methyl-N-[3-(2-methyl-1H-pyrazol-2-ium-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2,4-thiadiazol-5-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-pyrrolidin-3-yl-1,2-thiazol-5-amine;4-[8-[(3-methyl-1,2-thiazol-5-yl)amino]-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-3-yl]furan-2-carbonitrile (PubChem CID 158081584) has the molecular formula C93H92N39O4S6+ and a molecular weight of 2012.43 g/mol. Its IUPAC name is N-[3,6-bis(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;5-[[3-(5-cyanofuran-3-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N-diethyl-3-methylthiophene-2-sulfonamide;3-methyl-N-[3-(2-methyl-1H-pyrazol-2-ium-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2,4-thiadiazol-5-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-pyrrolidin-3-yl-1,2-thiazol-5-amine;4-[8-[(3-methyl-1,2-thiazol-5-yl)amino]-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-3-yl]furan-2-carbonitrile.

Molecular Properties

• Compound Name: N-[3,6-bis(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;5-[[3-(5-cyanofuran-3-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N-diethyl-3-methylthiophene-2-sulfonamide;3-methyl-N-[3-(2-methyl-1H-pyrazol-2-ium-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2,4-thiadiazol-5-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-pyrrolidin-3-yl-1,2-thiazol-5-amine;4-[8-[(3-methyl-1,2-thiazol-5-yl)amino]-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-3-yl]furan-2-carbonitrile
• PubChem CID: 158081584
• Molecular Formula: C93H92N39O4S6+
• Molecular Weight: 2012.43 g/mol
• Exact Mass: 2010.65
• IUPAC Name: N-[3,6-bis(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;5-[[3-(5-cyanofuran-3-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N-diethyl-3-methylthiophene-2-sulfonamide;3-methyl-N-[3-(2-methyl-1H-pyrazol-2-ium-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2,4-thiadiazol-5-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-pyrrolidin-3-yl-1,2-thiazol-5-amine;4-[8-[(3-methyl-1,2-thiazol-5-yl)amino]-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-3-yl]furan-2-carbonitrile
• SMILES: CCN(CC)S(=O)(=O)c1sc(Nc2nc(C3=CCCNC3)cn3c(-c4coc(C#N)c4)cnc23)cc1C.Cc1cc(Nc2nc(-c3cnn(C)c3)cn3c(-c4cnn(C)c4)cnc23)sn1.Cc1cc(Nc2nc(C3=CCCNC3)cn3c(-c4coc(C#N)c4)cnc23)sn1.Cc1nsc(Nc2nccn3c(-c4c[nH][n+](C)c4)cnc23)n1.Cn1cc(-c2cnc3c(Nc4cc(C5CCNC5)ns4)nccn23)cn1
• InChI: InChI=1S/C25H27N7O3S2.C20H17N7OS.C18H17N9S.C17H18N8S.C13H12N8S/c1-4-31(5-2)37(33,34)25-16(3)9-22(36-25)30-23-24-28-13-21(18-10-19(11-26)35-15-18)32(24)14-20(29-23)17-7-6-8-27-12-17;1-12-5-18(29-26-12)25-19-20-23-9-17(14-6-15(7-21)28-11-14)27(20)10-16(24-19)13-3-2-4-22-8-13;1-11-4-16(28-24-11)23-17-18-19-7-15(13-6-21-26(3)9-13)27(18)10-14(22-17)12-5-20-25(2)8-12;1-24-10-12(8-21-24)14-9-20-17-16(19-4-5-25(14)17)22-15-6-13(23-26-15)11-2-3-18-7-11;1-8-17-13(22-19-8)18-11-12-15-6-10(21(12)4-3-14-11)9-5-16-20(2)7-9/h7,9-10,13-15,27H,4-6,8,12H2,1-3H3,(H,29,30);3,5-6,9-11,22H,2,4,8H2,1H3,(H,24,25);4-10H,1-3H3,(H,22,23);4-6,8-11,18H,2-3,7H2,1H3,(H,19,22);3-7H,1-2H3,(H,14,17,18,19)/p+1
• InChIKey: KLIXZSRMYDWSJL-UHFFFAOYSA-O
• XLogP: 15.03
• TPSA: 496.01 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 45
• Rotatable Bonds: 23
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2012.43
LogP ≤ 5	15.03
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	45

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3,6-bis(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;5-[[3-(5-cyanofuran-3-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N-diethyl-3-methylthiophene-2-sulfonamide;3-methyl-N-[3-(2-methyl-1H-pyrazol-2-ium-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2,4-thiadiazol-5-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-pyrrolidin-3-yl-1,2-thiazol-5-amine;4-[8-[(3-methyl-1,2-thiazol-5-yl)amino]-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-3-yl]furan-2-carbonitrile?

The IUPAC name of N-[3,6-bis(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;5-[[3-(5-cyanofuran-3-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N-diethyl-3-methylthiophene-2-sulfonamide;3-methyl-N-[3-(2-methyl-1H-pyrazol-2-ium-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2,4-thiadiazol-5-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-pyrrolidin-3-yl-1,2-thiazol-5-amine;4-[8-[(3-methyl-1,2-thiazol-5-yl)amino]-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-3-yl]furan-2-carbonitrile (CID 158081584) is N-[3,6-bis(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;5-[[3-(5-cyanofuran-3-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N-diethyl-3-methylthiophene-2-sulfonamide;3-methyl-N-[3-(2-methyl-1H-pyrazol-2-ium-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2,4-thiadiazol-5-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-pyrrolidin-3-yl-1,2-thiazol-5-amine;4-[8-[(3-methyl-1,2-thiazol-5-yl)amino]-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-3-yl]furan-2-carbonitrile.

What is the SMILES notation for N-[3,6-bis(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;5-[[3-(5-cyanofuran-3-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N-diethyl-3-methylthiophene-2-sulfonamide;3-methyl-N-[3-(2-methyl-1H-pyrazol-2-ium-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2,4-thiadiazol-5-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-pyrrolidin-3-yl-1,2-thiazol-5-amine;4-[8-[(3-methyl-1,2-thiazol-5-yl)amino]-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-3-yl]furan-2-carbonitrile?

The canonical SMILES for N-[3,6-bis(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;5-[[3-(5-cyanofuran-3-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N-diethyl-3-methylthiophene-2-sulfonamide;3-methyl-N-[3-(2-methyl-1H-pyrazol-2-ium-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2,4-thiadiazol-5-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-pyrrolidin-3-yl-1,2-thiazol-5-amine;4-[8-[(3-methyl-1,2-thiazol-5-yl)amino]-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-3-yl]furan-2-carbonitrile is CCN(CC)S(=O)(=O)c1sc(Nc2nc(C3=CCCNC3)cn3c(-c4coc(C#N)c4)cnc23)cc1C.Cc1cc(Nc2nc(-c3cnn(C)c3)cn3c(-c4cnn(C)c4)cnc23)sn1.Cc1cc(Nc2nc(C3=CCCNC3)cn3c(-c4coc(C#N)c4)cnc23)sn1.Cc1nsc(Nc2nccn3c(-c4c[nH][n+](C)c4)cnc23)n1.Cn1cc(-c2cnc3c(Nc4cc(C5CCNC5)ns4)nccn23)cn1.

What is the InChIKey of N-[3,6-bis(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;5-[[3-(5-cyanofuran-3-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N-diethyl-3-methylthiophene-2-sulfonamide;3-methyl-N-[3-(2-methyl-1H-pyrazol-2-ium-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2,4-thiadiazol-5-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-pyrrolidin-3-yl-1,2-thiazol-5-amine;4-[8-[(3-methyl-1,2-thiazol-5-yl)amino]-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-3-yl]furan-2-carbonitrile?

The InChIKey is KLIXZSRMYDWSJL-UHFFFAOYSA-O. The full InChI is InChI=1S/C25H27N7O3S2.C20H17N7OS.C18H17N9S.C17H18N8S.C13H12N8S/c1-4-31(5-2)37(33,34)25-16(3)9-22(36-25)30-23-24-28-13-21(18-10-19(11-26)35-15-18)32(24)14-20(29-23)17-7-6-8-27-12-17;1-12-5-18(29-26-12)25-19-20-23-9-17(14-6-15(7-21)28-11-14)27(20)10-16(24-19)13-3-2-4-22-8-13;1-11-4-16(28-24-11)23-17-18-19-7-15(13-6-21-26(3)9-13)27(18)10-14(22-17)12-5-20-25(2)8-12;1-24-10-12(8-21-24)14-9-20-17-16(19-4-5-25(14)17)22-15-6-13(23-26-15)11-2-3-18-7-11;1-8-17-13(22-19-8)18-11-12-15-6-10(21(12)4-3-14-11)9-5-16-20(2)7-9/h7,9-10,13-15,27H,4-6,8,12H2,1-3H3,(H,29,30);3,5-6,9-11,22H,2,4,8H2,1H3,(H,24,25);4-10H,1-3H3,(H,22,23);4-6,8-11,18H,2-3,7H2,1H3,(H,19,22);3-7H,1-2H3,(H,14,17,18,19)/p+1.

What are the key properties of N-[3,6-bis(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;5-[[3-(5-cyanofuran-3-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N-diethyl-3-methylthiophene-2-sulfonamide;3-methyl-N-[3-(2-methyl-1H-pyrazol-2-ium-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2,4-thiadiazol-5-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-pyrrolidin-3-yl-1,2-thiazol-5-amine;4-[8-[(3-methyl-1,2-thiazol-5-yl)amino]-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-3-yl]furan-2-carbonitrile?

N-[3,6-bis(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;5-[[3-(5-cyanofuran-3-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N-diethyl-3-methylthiophene-2-sulfonamide;3-methyl-N-[3-(2-methyl-1H-pyrazol-2-ium-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2,4-thiadiazol-5-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-pyrrolidin-3-yl-1,2-thiazol-5-amine;4-[8-[(3-methyl-1,2-thiazol-5-yl)amino]-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-3-yl]furan-2-carbonitrile has a molecular weight of 2012.43 g/mol, XLogP of 15.03, 23 rotatable bonds, 9 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3,6-bis(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;5-[[3-(5-cyanofuran-3-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N-diethyl-3-methylthiophene-2-sulfonamide;3-methyl-N-[3-(2-methyl-1H-pyrazol-2-ium-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2,4-thiadiazol-5-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-pyrrolidin-3-yl-1,2-thiazol-5-amine;4-[8-[(3-methyl-1,2-thiazol-5-yl)amino]-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-3-yl]furan-2-carbonitrile is sourced from PubChem (CID 158081584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).