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-(cyclohexen-1-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N-diethyl-3-methylthiophene-2-sulfonamide;4-[6-(cyclohexen-1-yl)-8-[(3-methyl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-3-yl]furan-2-carbonitrile;3-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2,4-thiadiazol-5-amine

C78H75N29O4S5 — CID 123380043

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-(cyclohexen-1-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N-diethyl-3-methylthiophene-2-sulfonamide;4-[6-(cyclohexen-1-yl)-8-[(3-methyl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-3-yl]furan-2-carbonitrile;3-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2,4-thiadiazol-5-amine

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-(cyclohexen-1-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N-diethyl-3-methylthiophene-2-sulfonamide;4-[6-(cyclohexen-1-yl)-8-[(3-methyl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-3-yl]furan-2-carbonitrile;3-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2,4-thiadiazol-5-amine (PubChem CID 123380043) has the molecular formula C78H75N29O4S5 and a molecular weight of 1642.99 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-(cyclohexen-1-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N-diethyl-3-methylthiophene-2-sulfonamide;4-[6-(cyclohexen-1-yl)-8-[(3-methyl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-3-yl]furan-2-carbonitrile;3-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2,4-thiadiazol-5-amine.

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-(cyclohexen-1-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N-diethyl-3-methylthiophene-2-sulfonamide;4-[6-(cyclohexen-1-yl)-8-[(3-methyl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-3-yl]furan-2-carbonitrile;3-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2,4-thiadiazol-5-amine
• PubChem CID: 123380043
• Molecular Formula: C78H75N29O4S5
• Molecular Weight: 1642.99 g/mol
• Exact Mass: 1641.52
• 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-(cyclohexen-1-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N-diethyl-3-methylthiophene-2-sulfonamide;4-[6-(cyclohexen-1-yl)-8-[(3-methyl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-3-yl]furan-2-carbonitrile;3-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2,4-thiadiazol-5-amine
• SMILES: CCN(CC)S(=O)(=O)c1sc(Nc2nc(C3=CCCCC3)cn3c(-c4coc(C#N)c4)cnc23)cc1C.Cc1cc(Nc2nc(-c3cnn(C)c3)cn3c(-c4cnn(C)c4)cnc23)sn1.Cc1cc(Nc2nc(C3=CCCCC3)cn3c(-c4coc(C#N)c4)cnc23)sn1.Cc1nsc(Nc2nccn3c(-c4cnn(C)c4)cnc23)n1
• InChI: InChI=1S/C26H28N6O3S2.C21H18N6OS.C18H17N9S.C13H12N8S/c1-4-31(5-2)37(33,34)26-17(3)11-23(36-26)30-24-25-28-14-22(19-12-20(13-27)35-16-19)32(25)15-21(29-24)18-9-7-6-8-10-18;1-13-7-19(29-26-13)25-20-21-23-10-18(15-8-16(9-22)28-12-15)27(21)11-17(24-20)14-5-3-2-4-6-14;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;1-8-17-13(22-19-8)18-11-12-15-6-10(21(12)4-3-14-11)9-5-16-20(2)7-9/h9,11-12,14-16H,4-8,10H2,1-3H3,(H,29,30);5,7-8,10-12H,2-4,6H2,1H3,(H,24,25);4-10H,1-3H3,(H,22,23);3-7H,1-2H3,(H,14,17,18,19)
• InChIKey: IXEKEDSRHAZTMR-UHFFFAOYSA-N
• XLogP: 16.36
• TPSA: 385.14 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 36
• Rotatable Bonds: 19
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1642.99
LogP ≤ 5	16.36
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	36

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-(cyclohexen-1-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N-diethyl-3-methylthiophene-2-sulfonamide;4-[6-(cyclohexen-1-yl)-8-[(3-methyl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-3-yl]furan-2-carbonitrile;3-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2,4-thiadiazol-5-amine?

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-(cyclohexen-1-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N-diethyl-3-methylthiophene-2-sulfonamide;4-[6-(cyclohexen-1-yl)-8-[(3-methyl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-3-yl]furan-2-carbonitrile;3-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2,4-thiadiazol-5-amine (CID 123380043) 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-(cyclohexen-1-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N-diethyl-3-methylthiophene-2-sulfonamide;4-[6-(cyclohexen-1-yl)-8-[(3-methyl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-3-yl]furan-2-carbonitrile;3-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2,4-thiadiazol-5-amine.

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-(cyclohexen-1-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N-diethyl-3-methylthiophene-2-sulfonamide;4-[6-(cyclohexen-1-yl)-8-[(3-methyl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-3-yl]furan-2-carbonitrile;3-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2,4-thiadiazol-5-amine?

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-(cyclohexen-1-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N-diethyl-3-methylthiophene-2-sulfonamide;4-[6-(cyclohexen-1-yl)-8-[(3-methyl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-3-yl]furan-2-carbonitrile;3-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2,4-thiadiazol-5-amine is CCN(CC)S(=O)(=O)c1sc(Nc2nc(C3=CCCCC3)cn3c(-c4coc(C#N)c4)cnc23)cc1C.Cc1cc(Nc2nc(-c3cnn(C)c3)cn3c(-c4cnn(C)c4)cnc23)sn1.Cc1cc(Nc2nc(C3=CCCCC3)cn3c(-c4coc(C#N)c4)cnc23)sn1.Cc1nsc(Nc2nccn3c(-c4cnn(C)c4)cnc23)n1.

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-(cyclohexen-1-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N-diethyl-3-methylthiophene-2-sulfonamide;4-[6-(cyclohexen-1-yl)-8-[(3-methyl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-3-yl]furan-2-carbonitrile;3-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2,4-thiadiazol-5-amine?

The InChIKey is IXEKEDSRHAZTMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O3S2.C21H18N6OS.C18H17N9S.C13H12N8S/c1-4-31(5-2)37(33,34)26-17(3)11-23(36-26)30-24-25-28-14-22(19-12-20(13-27)35-16-19)32(25)15-21(29-24)18-9-7-6-8-10-18;1-13-7-19(29-26-13)25-20-21-23-10-18(15-8-16(9-22)28-12-15)27(21)11-17(24-20)14-5-3-2-4-6-14;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;1-8-17-13(22-19-8)18-11-12-15-6-10(21(12)4-3-14-11)9-5-16-20(2)7-9/h9,11-12,14-16H,4-8,10H2,1-3H3,(H,29,30);5,7-8,10-12H,2-4,6H2,1H3,(H,24,25);4-10H,1-3H3,(H,22,23);3-7H,1-2H3,(H,14,17,18,19).

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-(cyclohexen-1-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N-diethyl-3-methylthiophene-2-sulfonamide;4-[6-(cyclohexen-1-yl)-8-[(3-methyl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-3-yl]furan-2-carbonitrile;3-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2,4-thiadiazol-5-amine?

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-(cyclohexen-1-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N-diethyl-3-methylthiophene-2-sulfonamide;4-[6-(cyclohexen-1-yl)-8-[(3-methyl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-3-yl]furan-2-carbonitrile;3-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2,4-thiadiazol-5-amine has a molecular weight of 1642.99 g/mol, XLogP of 16.36, 19 rotatable bonds, 4 hydrogen bond donors, and 36 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-(cyclohexen-1-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N-diethyl-3-methylthiophene-2-sulfonamide;4-[6-(cyclohexen-1-yl)-8-[(3-methyl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-3-yl]furan-2-carbonitrile;3-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 123380043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).