N'-methyl-N'-[[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]methyl]ethane-1,2-diamine;methyl 3-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]benzoate;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(2-piperazin-1-ylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(1H-pyrrol-2-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;[4-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]methanamine

C104H92N36O2S5 — CID 159165475

About N'-methyl-N'-[[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]methyl]ethane-1,2-diamine;methyl 3-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]benzoate;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(2-piperazin-1-ylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(1H-pyrrol-2-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;[4-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]methanamine

N'-methyl-N'-[[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]methyl]ethane-1,2-diamine;methyl 3-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]benzoate;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(2-piperazin-1-ylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(1H-pyrrol-2-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;[4-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]methanamine (PubChem CID 159165475) has the molecular formula C104H92N36O2S5 and a molecular weight of 2038.46 g/mol. Its IUPAC name is N'-methyl-N'-[[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]methyl]ethane-1,2-diamine;methyl 3-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]benzoate;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(2-piperazin-1-ylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(1H-pyrrol-2-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;[4-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]methanamine.

Molecular Properties

• Compound Name: N'-methyl-N'-[[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]methyl]ethane-1,2-diamine;methyl 3-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]benzoate;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(2-piperazin-1-ylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(1H-pyrrol-2-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;[4-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]methanamine
• PubChem CID: 159165475
• Molecular Formula: C104H92N36O2S5
• Molecular Weight: 2038.46 g/mol
• Exact Mass: 2036.68
• IUPAC Name: N'-methyl-N'-[[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]methyl]ethane-1,2-diamine;methyl 3-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]benzoate;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(2-piperazin-1-ylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(1H-pyrrol-2-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;[4-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]methanamine
• SMILES: COC(=O)c1cccc(-c2nc(-c3c(C)nn4ccccc34)sc2-c2ncn[nH]2)c1.Cc1nc2ccc(CN(C)CCN)cn2c1-c1nc(-c2ccccc2)c(-c2ncn[nH]2)s1.Cc1nn2ccccc2c1-c1nc(-c2ccc(CN)cc2)c(-c2ncn[nH]2)s1.Cc1nn2ccccc2c1-c1nc(-c2ccc[nH]2)c(-c2ncn[nH]2)s1.Cc1nn2ccccc2c1-c1nc(-c2ccccc2N2CCNCC2)c(-c2ncn[nH]2)s1
• InChI: InChI=1S/C23H22N8S.C23H24N8S.C21H16N6O2S.C20H17N7S.C17H13N7S/c1-15-19(18-8-4-5-11-31(18)29-15)23-27-20(21(32-23)22-25-14-26-28-22)16-6-2-3-7-17(16)30-12-9-24-10-13-30;1-15-20(31-13-16(8-9-18(31)27-15)12-30(2)11-10-24)23-28-19(17-6-4-3-5-7-17)21(32-23)22-25-14-26-29-22;1-12-16(15-8-3-4-9-27(15)26-12)20-24-17(18(30-20)19-22-11-23-25-19)13-6-5-7-14(10-13)21(28)29-2;1-12-16(15-4-2-3-9-27(15)26-12)20-24-17(14-7-5-13(10-21)6-8-14)18(28-20)19-22-11-23-25-19;1-10-13(12-6-2-3-8-24(12)23-10)17-21-14(11-5-4-7-18-11)15(25-17)16-19-9-20-22-16/h2-8,11,14,24H,9-10,12-13H2,1H3,(H,25,26,28);3-9,13-14H,10-12,24H2,1-2H3,(H,25,26,29);3-11H,1-2H3,(H,22,23,25);2-9,11H,10,21H2,1H3,(H,22,23,25);2-9,18H,1H3,(H,19,20,22)
• InChIKey: KKZYQGKDUPWKDI-UHFFFAOYSA-N
• XLogP: 18.47
• TPSA: 471.44 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 37
• Rotatable Bonds: 22
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2038.46
LogP ≤ 5	18.47
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-[[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]methyl]ethane-1,2-diamine;methyl 3-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]benzoate;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(2-piperazin-1-ylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(1H-pyrrol-2-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;[4-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]methanamine?

The IUPAC name of N'-methyl-N'-[[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]methyl]ethane-1,2-diamine;methyl 3-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]benzoate;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(2-piperazin-1-ylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(1H-pyrrol-2-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;[4-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]methanamine (CID 159165475) is N'-methyl-N'-[[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]methyl]ethane-1,2-diamine;methyl 3-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]benzoate;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(2-piperazin-1-ylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(1H-pyrrol-2-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;[4-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]methanamine.

What is the SMILES notation for N'-methyl-N'-[[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]methyl]ethane-1,2-diamine;methyl 3-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]benzoate;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(2-piperazin-1-ylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(1H-pyrrol-2-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;[4-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]methanamine?

The canonical SMILES for N'-methyl-N'-[[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]methyl]ethane-1,2-diamine;methyl 3-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]benzoate;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(2-piperazin-1-ylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(1H-pyrrol-2-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;[4-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]methanamine is COC(=O)c1cccc(-c2nc(-c3c(C)nn4ccccc34)sc2-c2ncn[nH]2)c1.Cc1nc2ccc(CN(C)CCN)cn2c1-c1nc(-c2ccccc2)c(-c2ncn[nH]2)s1.Cc1nn2ccccc2c1-c1nc(-c2ccc(CN)cc2)c(-c2ncn[nH]2)s1.Cc1nn2ccccc2c1-c1nc(-c2ccc[nH]2)c(-c2ncn[nH]2)s1.Cc1nn2ccccc2c1-c1nc(-c2ccccc2N2CCNCC2)c(-c2ncn[nH]2)s1.

What is the InChIKey of N'-methyl-N'-[[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]methyl]ethane-1,2-diamine;methyl 3-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]benzoate;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(2-piperazin-1-ylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(1H-pyrrol-2-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;[4-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]methanamine?

The InChIKey is KKZYQGKDUPWKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N8S.C23H24N8S.C21H16N6O2S.C20H17N7S.C17H13N7S/c1-15-19(18-8-4-5-11-31(18)29-15)23-27-20(21(32-23)22-25-14-26-28-22)16-6-2-3-7-17(16)30-12-9-24-10-13-30;1-15-20(31-13-16(8-9-18(31)27-15)12-30(2)11-10-24)23-28-19(17-6-4-3-5-7-17)21(32-23)22-25-14-26-29-22;1-12-16(15-8-3-4-9-27(15)26-12)20-24-17(18(30-20)19-22-11-23-25-19)13-6-5-7-14(10-13)21(28)29-2;1-12-16(15-4-2-3-9-27(15)26-12)20-24-17(14-7-5-13(10-21)6-8-14)18(28-20)19-22-11-23-25-19;1-10-13(12-6-2-3-8-24(12)23-10)17-21-14(11-5-4-7-18-11)15(25-17)16-19-9-20-22-16/h2-8,11,14,24H,9-10,12-13H2,1H3,(H,25,26,28);3-9,13-14H,10-12,24H2,1-2H3,(H,25,26,29);3-11H,1-2H3,(H,22,23,25);2-9,11H,10,21H2,1H3,(H,22,23,25);2-9,18H,1H3,(H,19,20,22).

What are the key properties of N'-methyl-N'-[[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]methyl]ethane-1,2-diamine;methyl 3-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]benzoate;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(2-piperazin-1-ylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(1H-pyrrol-2-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;[4-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]methanamine?

N'-methyl-N'-[[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]methyl]ethane-1,2-diamine;methyl 3-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]benzoate;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(2-piperazin-1-ylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(1H-pyrrol-2-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;[4-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]methanamine has a molecular weight of 2038.46 g/mol, XLogP of 18.47, 22 rotatable bonds, 9 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for N'-methyl-N'-[[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]methyl]ethane-1,2-diamine;methyl 3-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]benzoate;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(2-piperazin-1-ylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(1H-pyrrol-2-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;[4-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]methanamine is sourced from PubChem (CID 159165475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).