2-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazole;tert-butyl N-[3-[2-methyl-3-[5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]propyl]carbamate;tert-butyl N-prop-2-enylcarbamate;3-[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]propan-1-amine

C86H94BrN21O6S3 — CID 158716029

About 2-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazole;tert-butyl N-[3-[2-methyl-3-[5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]propyl]carbamate;tert-butyl N-prop-2-enylcarbamate;3-[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]propan-1-amine

2-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazole;tert-butyl N-[3-[2-methyl-3-[5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]propyl]carbamate;tert-butyl N-prop-2-enylcarbamate;3-[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]propan-1-amine (PubChem CID 158716029) has the molecular formula C86H94BrN21O6S3 and a molecular weight of 1693.94 g/mol. Its IUPAC name is 2-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazole;tert-butyl N-[3-[2-methyl-3-[5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]propyl]carbamate;tert-butyl N-prop-2-enylcarbamate;3-[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]propan-1-amine.

Molecular Properties

• Compound Name: 2-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazole;tert-butyl N-[3-[2-methyl-3-[5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]propyl]carbamate;tert-butyl N-prop-2-enylcarbamate;3-[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]propan-1-amine
• PubChem CID: 158716029
• Molecular Formula: C86H94BrN21O6S3
• Molecular Weight: 1693.94 g/mol
• Exact Mass: 1691.60
• IUPAC Name: 2-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazole;tert-butyl N-[3-[2-methyl-3-[5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]propyl]carbamate;tert-butyl N-prop-2-enylcarbamate;3-[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]propan-1-amine
• SMILES: C=CCNC(=O)OC(C)(C)C.Cc1nc2ccc(Br)cn2c1-c1nc(-c2ccccc2)c(-c2ncn(C3CCCCO3)n2)s1.Cc1nc2ccc(CCCN)cn2c1-c1nc(-c2ccccc2)c(-c2ncn[nH]2)s1.Cc1nc2ccc(CCCNC(=O)OC(C)(C)C)cn2c1-c1nc(-c2ccccc2)c(-c2ncn(C3CCCCO3)n2)s1
• InChI: InChI=1S/C32H37N7O3S.C24H21BrN6OS.C22H21N7S.C8H15NO2/c1-21-27(38-19-22(15-16-24(38)35-21)11-10-17-33-31(40)42-32(2,3)4)30-36-26(23-12-6-5-7-13-23)28(43-30)29-34-20-39(37-29)25-14-8-9-18-41-25;1-15-21(30-13-17(25)10-11-18(30)27-15)24-28-20(16-7-3-2-4-8-16)22(33-24)23-26-14-31(29-23)19-9-5-6-12-32-19;1-14-19(29-12-15(6-5-11-23)9-10-17(29)26-14)22-27-18(16-7-3-2-4-8-16)20(30-22)21-24-13-25-28-21;1-5-6-9-7(10)11-8(2,3)4/h5-7,12-13,15-16,19-20,25H,8-11,14,17-18H2,1-4H3,(H,33,40);2-4,7-8,10-11,13-14,19H,5-6,9,12H2,1H3;2-4,7-10,12-13H,5-6,11,23H2,1H3,(H,24,25,28);5H,1,6H2,2-4H3,(H,9,10)
• InChIKey: IJHZEJKXTQITNL-UHFFFAOYSA-N
• XLogP: 18.81
• TPSA: 314.70 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 27
• Rotatable Bonds: 20
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1693.94
LogP ≤ 5	18.81
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazole;tert-butyl N-[3-[2-methyl-3-[5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]propyl]carbamate;tert-butyl N-prop-2-enylcarbamate;3-[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]propan-1-amine?

The IUPAC name of 2-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazole;tert-butyl N-[3-[2-methyl-3-[5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]propyl]carbamate;tert-butyl N-prop-2-enylcarbamate;3-[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]propan-1-amine (CID 158716029) is 2-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazole;tert-butyl N-[3-[2-methyl-3-[5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]propyl]carbamate;tert-butyl N-prop-2-enylcarbamate;3-[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]propan-1-amine.

What is the SMILES notation for 2-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazole;tert-butyl N-[3-[2-methyl-3-[5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]propyl]carbamate;tert-butyl N-prop-2-enylcarbamate;3-[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]propan-1-amine?

The canonical SMILES for 2-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazole;tert-butyl N-[3-[2-methyl-3-[5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]propyl]carbamate;tert-butyl N-prop-2-enylcarbamate;3-[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]propan-1-amine is C=CCNC(=O)OC(C)(C)C.Cc1nc2ccc(Br)cn2c1-c1nc(-c2ccccc2)c(-c2ncn(C3CCCCO3)n2)s1.Cc1nc2ccc(CCCN)cn2c1-c1nc(-c2ccccc2)c(-c2ncn[nH]2)s1.Cc1nc2ccc(CCCNC(=O)OC(C)(C)C)cn2c1-c1nc(-c2ccccc2)c(-c2ncn(C3CCCCO3)n2)s1.

What is the InChIKey of 2-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazole;tert-butyl N-[3-[2-methyl-3-[5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]propyl]carbamate;tert-butyl N-prop-2-enylcarbamate;3-[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]propan-1-amine?

The InChIKey is IJHZEJKXTQITNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N7O3S.C24H21BrN6OS.C22H21N7S.C8H15NO2/c1-21-27(38-19-22(15-16-24(38)35-21)11-10-17-33-31(40)42-32(2,3)4)30-36-26(23-12-6-5-7-13-23)28(43-30)29-34-20-39(37-29)25-14-8-9-18-41-25;1-15-21(30-13-17(25)10-11-18(30)27-15)24-28-20(16-7-3-2-4-8-16)22(33-24)23-26-14-31(29-23)19-9-5-6-12-32-19;1-14-19(29-12-15(6-5-11-23)9-10-17(29)26-14)22-27-18(16-7-3-2-4-8-16)20(30-22)21-24-13-25-28-21;1-5-6-9-7(10)11-8(2,3)4/h5-7,12-13,15-16,19-20,25H,8-11,14,17-18H2,1-4H3,(H,33,40);2-4,7-8,10-11,13-14,19H,5-6,9,12H2,1H3;2-4,7-10,12-13H,5-6,11,23H2,1H3,(H,24,25,28);5H,1,6H2,2-4H3,(H,9,10).

What are the key properties of 2-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazole;tert-butyl N-[3-[2-methyl-3-[5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]propyl]carbamate;tert-butyl N-prop-2-enylcarbamate;3-[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]propan-1-amine?

2-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazole;tert-butyl N-[3-[2-methyl-3-[5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]propyl]carbamate;tert-butyl N-prop-2-enylcarbamate;3-[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]propan-1-amine has a molecular weight of 1693.94 g/mol, XLogP of 18.81, 20 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazole;tert-butyl N-[3-[2-methyl-3-[5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]propyl]carbamate;tert-butyl N-prop-2-enylcarbamate;3-[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]propan-1-amine is sourced from PubChem (CID 158716029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).