2-[(1E,3E)-4-(6-ethyl-3-pyridinyl)buta-1,3-dienyl]-6-propan-2-yloxy-1,3-benzothiazole;2-(3-methylphenyl)-7-(2-methylpropyl)imidazo[1,2-a]pyrimidine;6-methyl-N-propan-2-yl-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-amine;2-[3-(2-methylpropyl)phenyl]imidazo[1,2-a]pyrimidin-7-amine;2-[(1E,3E)-4-[6-(2-methylpropyl)-3-pyridinyl]buta-1,3-dienyl]-1,3-benzothiazol-6-ol;2-(3-propan-2-ylphenyl)imidazo[1,2-a]pyrimidin-7-amine;6-propan-2-yl-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-amine

C128H133N23O2S2 — CID 157402308

About 2-[(1E,3E)-4-(6-ethyl-3-pyridinyl)buta-1,3-dienyl]-6-propan-2-yloxy-1,3-benzothiazole;2-(3-methylphenyl)-7-(2-methylpropyl)imidazo[1,2-a]pyrimidine;6-methyl-N-propan-2-yl-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-amine;2-[3-(2-methylpropyl)phenyl]imidazo[1,2-a]pyrimidin-7-amine;2-[(1E,3E)-4-[6-(2-methylpropyl)-3-pyridinyl]buta-1,3-dienyl]-1,3-benzothiazol-6-ol;2-(3-propan-2-ylphenyl)imidazo[1,2-a]pyrimidin-7-amine;6-propan-2-yl-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-amine

2-[(1E,3E)-4-(6-ethyl-3-pyridinyl)buta-1,3-dienyl]-6-propan-2-yloxy-1,3-benzothiazole;2-(3-methylphenyl)-7-(2-methylpropyl)imidazo[1,2-a]pyrimidine;6-methyl-N-propan-2-yl-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-amine;2-[3-(2-methylpropyl)phenyl]imidazo[1,2-a]pyrimidin-7-amine;2-[(1E,3E)-4-[6-(2-methylpropyl)-3-pyridinyl]buta-1,3-dienyl]-1,3-benzothiazol-6-ol;2-(3-propan-2-ylphenyl)imidazo[1,2-a]pyrimidin-7-amine;6-propan-2-yl-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-amine (PubChem CID 157402308) has the molecular formula C128H133N23O2S2 and a molecular weight of 2089.76 g/mol. Its IUPAC name is 2-[(1E,3E)-4-(6-ethyl-3-pyridinyl)buta-1,3-dienyl]-6-propan-2-yloxy-1,3-benzothiazole;2-(3-methylphenyl)-7-(2-methylpropyl)imidazo[1,2-a]pyrimidine;6-methyl-N-propan-2-yl-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-amine;2-[3-(2-methylpropyl)phenyl]imidazo[1,2-a]pyrimidin-7-amine;2-[(1E,3E)-4-[6-(2-methylpropyl)-3-pyridinyl]buta-1,3-dienyl]-1,3-benzothiazol-6-ol;2-(3-propan-2-ylphenyl)imidazo[1,2-a]pyrimidin-7-amine;6-propan-2-yl-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-amine.

Molecular Properties

• Compound Name: 2-[(1E,3E)-4-(6-ethyl-3-pyridinyl)buta-1,3-dienyl]-6-propan-2-yloxy-1,3-benzothiazole;2-(3-methylphenyl)-7-(2-methylpropyl)imidazo[1,2-a]pyrimidine;6-methyl-N-propan-2-yl-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-amine;2-[3-(2-methylpropyl)phenyl]imidazo[1,2-a]pyrimidin-7-amine;2-[(1E,3E)-4-[6-(2-methylpropyl)-3-pyridinyl]buta-1,3-dienyl]-1,3-benzothiazol-6-ol;2-(3-propan-2-ylphenyl)imidazo[1,2-a]pyrimidin-7-amine;6-propan-2-yl-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-amine
• PubChem CID: 157402308
• Molecular Formula: C128H133N23O2S2
• Molecular Weight: 2089.76 g/mol
• Exact Mass: 2088.05
• IUPAC Name: 2-[(1E,3E)-4-(6-ethyl-3-pyridinyl)buta-1,3-dienyl]-6-propan-2-yloxy-1,3-benzothiazole;2-(3-methylphenyl)-7-(2-methylpropyl)imidazo[1,2-a]pyrimidine;6-methyl-N-propan-2-yl-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-amine;2-[3-(2-methylpropyl)phenyl]imidazo[1,2-a]pyrimidin-7-amine;2-[(1E,3E)-4-[6-(2-methylpropyl)-3-pyridinyl]buta-1,3-dienyl]-1,3-benzothiazol-6-ol;2-(3-propan-2-ylphenyl)imidazo[1,2-a]pyrimidin-7-amine;6-propan-2-yl-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-amine
• SMILES: CC(C)Cc1ccc(/C=C/C=C/c2nc3ccc(O)cc3s2)cn1.CC(C)Cc1cccc(-c2cn3ccc(N)nc3n2)c1.CC(C)c1ccc2cnc(-n3ccc4ccncc43)cc2c1N.CC(C)c1cccc(-c2cn3ccc(N)nc3n2)c1.CCc1ccc(/C=C/C=C/c2nc3ccc(OC(C)C)cc3s2)cn1.Cc1ccc2cnc(-n3ccc4ccncc43)cc2c1NC(C)C.Cc1cccc(-c2cn3ccc(CC(C)C)nc3n2)c1
• InChI: InChI=1S/C21H22N2OS.C20H20N4.C20H20N2OS.C19H18N4.C17H19N3.C16H18N4.C15H16N4/c1-4-17-10-9-16(14-22-17)7-5-6-8-21-23-19-12-11-18(24-15(2)3)13-20(19)25-21;1-13(2)23-20-14(3)4-5-16-11-22-19(10-17(16)20)24-9-7-15-6-8-21-12-18(15)24;1-14(2)11-16-8-7-15(13-21-16)5-3-4-6-20-22-18-10-9-17(23)12-19(18)24-20;1-12(2)15-4-3-14-10-22-18(9-16(14)19(15)20)23-8-6-13-5-7-21-11-17(13)23;1-12(2)9-15-7-8-20-11-16(19-17(20)18-15)14-6-4-5-13(3)10-14;1-11(2)8-12-4-3-5-13(9-12)14-10-20-7-6-15(17)19-16(20)18-14;1-10(2)11-4-3-5-12(8-11)13-9-19-7-6-14(16)18-15(19)17-13/h5-15H,4H2,1-3H3;4-13,23H,1-3H3;3-10,12-14,23H,11H2,1-2H3;3-12H,20H2,1-2H3;4-8,10-12H,9H2,1-3H3;3-7,9-11H,8H2,1-2H3,(H2,17,18,19);3-10H,1-2H3,(H2,16,17,18)/b7-5+,8-6+;;5-3+,6-4+
• InChIKey: BNHVLZXEQJLLDB-OHICXGACSA-N
• XLogP: 30.25
• TPSA: 323.10 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 27
• Rotatable Bonds: 24
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2089.76
LogP ≤ 5	30.25
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(1E,3E)-4-(6-ethyl-3-pyridinyl)buta-1,3-dienyl]-6-propan-2-yloxy-1,3-benzothiazole;2-(3-methylphenyl)-7-(2-methylpropyl)imidazo[1,2-a]pyrimidine;6-methyl-N-propan-2-yl-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-amine;2-[3-(2-methylpropyl)phenyl]imidazo[1,2-a]pyrimidin-7-amine;2-[(1E,3E)-4-[6-(2-methylpropyl)-3-pyridinyl]buta-1,3-dienyl]-1,3-benzothiazol-6-ol;2-(3-propan-2-ylphenyl)imidazo[1,2-a]pyrimidin-7-amine;6-propan-2-yl-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-amine?

The IUPAC name of 2-[(1E,3E)-4-(6-ethyl-3-pyridinyl)buta-1,3-dienyl]-6-propan-2-yloxy-1,3-benzothiazole;2-(3-methylphenyl)-7-(2-methylpropyl)imidazo[1,2-a]pyrimidine;6-methyl-N-propan-2-yl-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-amine;2-[3-(2-methylpropyl)phenyl]imidazo[1,2-a]pyrimidin-7-amine;2-[(1E,3E)-4-[6-(2-methylpropyl)-3-pyridinyl]buta-1,3-dienyl]-1,3-benzothiazol-6-ol;2-(3-propan-2-ylphenyl)imidazo[1,2-a]pyrimidin-7-amine;6-propan-2-yl-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-amine (CID 157402308) is 2-[(1E,3E)-4-(6-ethyl-3-pyridinyl)buta-1,3-dienyl]-6-propan-2-yloxy-1,3-benzothiazole;2-(3-methylphenyl)-7-(2-methylpropyl)imidazo[1,2-a]pyrimidine;6-methyl-N-propan-2-yl-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-amine;2-[3-(2-methylpropyl)phenyl]imidazo[1,2-a]pyrimidin-7-amine;2-[(1E,3E)-4-[6-(2-methylpropyl)-3-pyridinyl]buta-1,3-dienyl]-1,3-benzothiazol-6-ol;2-(3-propan-2-ylphenyl)imidazo[1,2-a]pyrimidin-7-amine;6-propan-2-yl-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-amine.

What is the SMILES notation for 2-[(1E,3E)-4-(6-ethyl-3-pyridinyl)buta-1,3-dienyl]-6-propan-2-yloxy-1,3-benzothiazole;2-(3-methylphenyl)-7-(2-methylpropyl)imidazo[1,2-a]pyrimidine;6-methyl-N-propan-2-yl-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-amine;2-[3-(2-methylpropyl)phenyl]imidazo[1,2-a]pyrimidin-7-amine;2-[(1E,3E)-4-[6-(2-methylpropyl)-3-pyridinyl]buta-1,3-dienyl]-1,3-benzothiazol-6-ol;2-(3-propan-2-ylphenyl)imidazo[1,2-a]pyrimidin-7-amine;6-propan-2-yl-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-amine?

The canonical SMILES for 2-[(1E,3E)-4-(6-ethyl-3-pyridinyl)buta-1,3-dienyl]-6-propan-2-yloxy-1,3-benzothiazole;2-(3-methylphenyl)-7-(2-methylpropyl)imidazo[1,2-a]pyrimidine;6-methyl-N-propan-2-yl-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-amine;2-[3-(2-methylpropyl)phenyl]imidazo[1,2-a]pyrimidin-7-amine;2-[(1E,3E)-4-[6-(2-methylpropyl)-3-pyridinyl]buta-1,3-dienyl]-1,3-benzothiazol-6-ol;2-(3-propan-2-ylphenyl)imidazo[1,2-a]pyrimidin-7-amine;6-propan-2-yl-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-amine is CC(C)Cc1ccc(/C=C/C=C/c2nc3ccc(O)cc3s2)cn1.CC(C)Cc1cccc(-c2cn3ccc(N)nc3n2)c1.CC(C)c1ccc2cnc(-n3ccc4ccncc43)cc2c1N.CC(C)c1cccc(-c2cn3ccc(N)nc3n2)c1.CCc1ccc(/C=C/C=C/c2nc3ccc(OC(C)C)cc3s2)cn1.Cc1ccc2cnc(-n3ccc4ccncc43)cc2c1NC(C)C.Cc1cccc(-c2cn3ccc(CC(C)C)nc3n2)c1.

What is the InChIKey of 2-[(1E,3E)-4-(6-ethyl-3-pyridinyl)buta-1,3-dienyl]-6-propan-2-yloxy-1,3-benzothiazole;2-(3-methylphenyl)-7-(2-methylpropyl)imidazo[1,2-a]pyrimidine;6-methyl-N-propan-2-yl-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-amine;2-[3-(2-methylpropyl)phenyl]imidazo[1,2-a]pyrimidin-7-amine;2-[(1E,3E)-4-[6-(2-methylpropyl)-3-pyridinyl]buta-1,3-dienyl]-1,3-benzothiazol-6-ol;2-(3-propan-2-ylphenyl)imidazo[1,2-a]pyrimidin-7-amine;6-propan-2-yl-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-amine?

The InChIKey is BNHVLZXEQJLLDB-OHICXGACSA-N. The full InChI is InChI=1S/C21H22N2OS.C20H20N4.C20H20N2OS.C19H18N4.C17H19N3.C16H18N4.C15H16N4/c1-4-17-10-9-16(14-22-17)7-5-6-8-21-23-19-12-11-18(24-15(2)3)13-20(19)25-21;1-13(2)23-20-14(3)4-5-16-11-22-19(10-17(16)20)24-9-7-15-6-8-21-12-18(15)24;1-14(2)11-16-8-7-15(13-21-16)5-3-4-6-20-22-18-10-9-17(23)12-19(18)24-20;1-12(2)15-4-3-14-10-22-18(9-16(14)19(15)20)23-8-6-13-5-7-21-11-17(13)23;1-12(2)9-15-7-8-20-11-16(19-17(20)18-15)14-6-4-5-13(3)10-14;1-11(2)8-12-4-3-5-13(9-12)14-10-20-7-6-15(17)19-16(20)18-14;1-10(2)11-4-3-5-12(8-11)13-9-19-7-6-14(16)18-15(19)17-13/h5-15H,4H2,1-3H3;4-13,23H,1-3H3;3-10,12-14,23H,11H2,1-2H3;3-12H,20H2,1-2H3;4-8,10-12H,9H2,1-3H3;3-7,9-11H,8H2,1-2H3,(H2,17,18,19);3-10H,1-2H3,(H2,16,17,18)/b7-5+,8-6+;;5-3+,6-4+;;;;.

What are the key properties of 2-[(1E,3E)-4-(6-ethyl-3-pyridinyl)buta-1,3-dienyl]-6-propan-2-yloxy-1,3-benzothiazole;2-(3-methylphenyl)-7-(2-methylpropyl)imidazo[1,2-a]pyrimidine;6-methyl-N-propan-2-yl-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-amine;2-[3-(2-methylpropyl)phenyl]imidazo[1,2-a]pyrimidin-7-amine;2-[(1E,3E)-4-[6-(2-methylpropyl)-3-pyridinyl]buta-1,3-dienyl]-1,3-benzothiazol-6-ol;2-(3-propan-2-ylphenyl)imidazo[1,2-a]pyrimidin-7-amine;6-propan-2-yl-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-amine?

2-[(1E,3E)-4-(6-ethyl-3-pyridinyl)buta-1,3-dienyl]-6-propan-2-yloxy-1,3-benzothiazole;2-(3-methylphenyl)-7-(2-methylpropyl)imidazo[1,2-a]pyrimidine;6-methyl-N-propan-2-yl-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-amine;2-[3-(2-methylpropyl)phenyl]imidazo[1,2-a]pyrimidin-7-amine;2-[(1E,3E)-4-[6-(2-methylpropyl)-3-pyridinyl]buta-1,3-dienyl]-1,3-benzothiazol-6-ol;2-(3-propan-2-ylphenyl)imidazo[1,2-a]pyrimidin-7-amine;6-propan-2-yl-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-amine has a molecular weight of 2089.76 g/mol, XLogP of 30.25, 24 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(1E,3E)-4-(6-ethyl-3-pyridinyl)buta-1,3-dienyl]-6-propan-2-yloxy-1,3-benzothiazole;2-(3-methylphenyl)-7-(2-methylpropyl)imidazo[1,2-a]pyrimidine;6-methyl-N-propan-2-yl-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-amine;2-[3-(2-methylpropyl)phenyl]imidazo[1,2-a]pyrimidin-7-amine;2-[(1E,3E)-4-[6-(2-methylpropyl)-3-pyridinyl]buta-1,3-dienyl]-1,3-benzothiazol-6-ol;2-(3-propan-2-ylphenyl)imidazo[1,2-a]pyrimidin-7-amine;6-propan-2-yl-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-amine is sourced from PubChem (CID 157402308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).