2-[4-(1,3-benzodioxol-5-yl)-2-tert-butyl-3H-pyrrol-5-yl]-6-methylpyridine;1-[4-[4-(1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1H-imidazol-2-yl]phenyl]ethanone;3-(1H-indol-3-ylmethyl)-1H-indole;3-(6-methyl-2-pyridinyl)-N-phenyl-4-quinolin-4-ylpyrazole-1-carbothioamide;2-[5-(6-methyl-2-pyridinyl)-2H-pyrrol-4-yl]-1,5-naphthyridine;4-(5-pyridin-2-yl-1H-pyrazol-4-yl)quinoline

C121H98N20O5S — CID 160679373

About 2-[4-(1,3-benzodioxol-5-yl)-2-tert-butyl-3H-pyrrol-5-yl]-6-methylpyridine;1-[4-[4-(1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1H-imidazol-2-yl]phenyl]ethanone;3-(1H-indol-3-ylmethyl)-1H-indole;3-(6-methyl-2-pyridinyl)-N-phenyl-4-quinolin-4-ylpyrazole-1-carbothioamide;2-[5-(6-methyl-2-pyridinyl)-2H-pyrrol-4-yl]-1,5-naphthyridine;4-(5-pyridin-2-yl-1H-pyrazol-4-yl)quinoline

2-[4-(1,3-benzodioxol-5-yl)-2-tert-butyl-3H-pyrrol-5-yl]-6-methylpyridine;1-[4-[4-(1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1H-imidazol-2-yl]phenyl]ethanone;3-(1H-indol-3-ylmethyl)-1H-indole;3-(6-methyl-2-pyridinyl)-N-phenyl-4-quinolin-4-ylpyrazole-1-carbothioamide;2-[5-(6-methyl-2-pyridinyl)-2H-pyrrol-4-yl]-1,5-naphthyridine;4-(5-pyridin-2-yl-1H-pyrazol-4-yl)quinoline (PubChem CID 160679373) has the molecular formula C121H98N20O5S and a molecular weight of 1944.32 g/mol. Its IUPAC name is 2-[4-(1,3-benzodioxol-5-yl)-2-tert-butyl-3H-pyrrol-5-yl]-6-methylpyridine;1-[4-[4-(1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1H-imidazol-2-yl]phenyl]ethanone;3-(1H-indol-3-ylmethyl)-1H-indole;3-(6-methyl-2-pyridinyl)-N-phenyl-4-quinolin-4-ylpyrazole-1-carbothioamide;2-[5-(6-methyl-2-pyridinyl)-2H-pyrrol-4-yl]-1,5-naphthyridine;4-(5-pyridin-2-yl-1H-pyrazol-4-yl)quinoline.

Molecular Properties

• Compound Name: 2-[4-(1,3-benzodioxol-5-yl)-2-tert-butyl-3H-pyrrol-5-yl]-6-methylpyridine;1-[4-[4-(1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1H-imidazol-2-yl]phenyl]ethanone;3-(1H-indol-3-ylmethyl)-1H-indole;3-(6-methyl-2-pyridinyl)-N-phenyl-4-quinolin-4-ylpyrazole-1-carbothioamide;2-[5-(6-methyl-2-pyridinyl)-2H-pyrrol-4-yl]-1,5-naphthyridine;4-(5-pyridin-2-yl-1H-pyrazol-4-yl)quinoline
• PubChem CID: 160679373
• Molecular Formula: C121H98N20O5S
• Molecular Weight: 1944.32 g/mol
• Exact Mass: 1942.77
• IUPAC Name: 2-[4-(1,3-benzodioxol-5-yl)-2-tert-butyl-3H-pyrrol-5-yl]-6-methylpyridine;1-[4-[4-(1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1H-imidazol-2-yl]phenyl]ethanone;3-(1H-indol-3-ylmethyl)-1H-indole;3-(6-methyl-2-pyridinyl)-N-phenyl-4-quinolin-4-ylpyrazole-1-carbothioamide;2-[5-(6-methyl-2-pyridinyl)-2H-pyrrol-4-yl]-1,5-naphthyridine;4-(5-pyridin-2-yl-1H-pyrazol-4-yl)quinoline
• SMILES: CC(=O)c1ccc(-c2nc(-c3ccc4c(c3)OCO4)c(-c3ccccn3)[nH]2)cc1.Cc1cccc(-c2nn(C(=S)Nc3ccccc3)cc2-c2ccnc3ccccc23)n1.Cc1cccc(C2=C(c3ccc4c(c3)OCO4)CC(C(C)(C)C)=N2)n1.Cc1cccc(C2=NCC=C2c2ccc3ncccc3n2)n1.c1ccc(-c2[nH]ncc2-c2ccnc3ccccc23)nc1.c1ccc2c(Cc3c[nH]c4ccccc34)c[nH]c2c1
• InChI: InChI=1S/C25H19N5S.C23H17N3O3.C21H22N2O2.C18H14N4.C17H12N4.C17H14N2/c1-17-8-7-13-23(27-17)24-21(19-14-15-26-22-12-6-5-11-20(19)22)16-30(29-24)25(31)28-18-9-3-2-4-10-18;1-14(27)15-5-7-16(8-6-15)23-25-21(22(26-23)18-4-2-3-11-24-18)17-9-10-19-20(12-17)29-13-28-19;1-13-6-5-7-16(22-13)20-15(11-19(23-20)21(2,3)4)14-8-9-17-18(10-14)25-12-24-17;1-12-4-2-5-17(21-12)18-13(9-11-20-18)14-7-8-15-16(22-14)6-3-10-19-15;1-2-6-15-13(5-1)12(8-10-19-15)14-11-20-21-17(14)16-7-3-4-9-18-16;1-3-7-16-14(5-1)12(10-18-16)9-13-11-19-17-8-4-2-6-15(13)17/h2-16H,1H3,(H,28,31);2-12H,13H2,1H3,(H,25,26);5-10H,11-12H2,1-4H3;2-10H,11H2,1H3;1-11H,(H,20,21);1-8,10-11,18-19H,9H2
• InChIKey: RNXZCPRFIJDEMZ-UHFFFAOYSA-N
• XLogP: 26.48
• TPSA: 313.51 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 21
• Rotatable Bonds: 15
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1944.32
LogP ≤ 5	26.48
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-benzodioxol-5-yl)-2-tert-butyl-3H-pyrrol-5-yl]-6-methylpyridine;1-[4-[4-(1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1H-imidazol-2-yl]phenyl]ethanone;3-(1H-indol-3-ylmethyl)-1H-indole;3-(6-methyl-2-pyridinyl)-N-phenyl-4-quinolin-4-ylpyrazole-1-carbothioamide;2-[5-(6-methyl-2-pyridinyl)-2H-pyrrol-4-yl]-1,5-naphthyridine;4-(5-pyridin-2-yl-1H-pyrazol-4-yl)quinoline?

The IUPAC name of 2-[4-(1,3-benzodioxol-5-yl)-2-tert-butyl-3H-pyrrol-5-yl]-6-methylpyridine;1-[4-[4-(1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1H-imidazol-2-yl]phenyl]ethanone;3-(1H-indol-3-ylmethyl)-1H-indole;3-(6-methyl-2-pyridinyl)-N-phenyl-4-quinolin-4-ylpyrazole-1-carbothioamide;2-[5-(6-methyl-2-pyridinyl)-2H-pyrrol-4-yl]-1,5-naphthyridine;4-(5-pyridin-2-yl-1H-pyrazol-4-yl)quinoline (CID 160679373) is 2-[4-(1,3-benzodioxol-5-yl)-2-tert-butyl-3H-pyrrol-5-yl]-6-methylpyridine;1-[4-[4-(1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1H-imidazol-2-yl]phenyl]ethanone;3-(1H-indol-3-ylmethyl)-1H-indole;3-(6-methyl-2-pyridinyl)-N-phenyl-4-quinolin-4-ylpyrazole-1-carbothioamide;2-[5-(6-methyl-2-pyridinyl)-2H-pyrrol-4-yl]-1,5-naphthyridine;4-(5-pyridin-2-yl-1H-pyrazol-4-yl)quinoline.

What is the SMILES notation for 2-[4-(1,3-benzodioxol-5-yl)-2-tert-butyl-3H-pyrrol-5-yl]-6-methylpyridine;1-[4-[4-(1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1H-imidazol-2-yl]phenyl]ethanone;3-(1H-indol-3-ylmethyl)-1H-indole;3-(6-methyl-2-pyridinyl)-N-phenyl-4-quinolin-4-ylpyrazole-1-carbothioamide;2-[5-(6-methyl-2-pyridinyl)-2H-pyrrol-4-yl]-1,5-naphthyridine;4-(5-pyridin-2-yl-1H-pyrazol-4-yl)quinoline?

The canonical SMILES for 2-[4-(1,3-benzodioxol-5-yl)-2-tert-butyl-3H-pyrrol-5-yl]-6-methylpyridine;1-[4-[4-(1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1H-imidazol-2-yl]phenyl]ethanone;3-(1H-indol-3-ylmethyl)-1H-indole;3-(6-methyl-2-pyridinyl)-N-phenyl-4-quinolin-4-ylpyrazole-1-carbothioamide;2-[5-(6-methyl-2-pyridinyl)-2H-pyrrol-4-yl]-1,5-naphthyridine;4-(5-pyridin-2-yl-1H-pyrazol-4-yl)quinoline is CC(=O)c1ccc(-c2nc(-c3ccc4c(c3)OCO4)c(-c3ccccn3)[nH]2)cc1.Cc1cccc(-c2nn(C(=S)Nc3ccccc3)cc2-c2ccnc3ccccc23)n1.Cc1cccc(C2=C(c3ccc4c(c3)OCO4)CC(C(C)(C)C)=N2)n1.Cc1cccc(C2=NCC=C2c2ccc3ncccc3n2)n1.c1ccc(-c2[nH]ncc2-c2ccnc3ccccc23)nc1.c1ccc2c(Cc3c[nH]c4ccccc34)c[nH]c2c1.

What is the InChIKey of 2-[4-(1,3-benzodioxol-5-yl)-2-tert-butyl-3H-pyrrol-5-yl]-6-methylpyridine;1-[4-[4-(1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1H-imidazol-2-yl]phenyl]ethanone;3-(1H-indol-3-ylmethyl)-1H-indole;3-(6-methyl-2-pyridinyl)-N-phenyl-4-quinolin-4-ylpyrazole-1-carbothioamide;2-[5-(6-methyl-2-pyridinyl)-2H-pyrrol-4-yl]-1,5-naphthyridine;4-(5-pyridin-2-yl-1H-pyrazol-4-yl)quinoline?

The InChIKey is RNXZCPRFIJDEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N5S.C23H17N3O3.C21H22N2O2.C18H14N4.C17H12N4.C17H14N2/c1-17-8-7-13-23(27-17)24-21(19-14-15-26-22-12-6-5-11-20(19)22)16-30(29-24)25(31)28-18-9-3-2-4-10-18;1-14(27)15-5-7-16(8-6-15)23-25-21(22(26-23)18-4-2-3-11-24-18)17-9-10-19-20(12-17)29-13-28-19;1-13-6-5-7-16(22-13)20-15(11-19(23-20)21(2,3)4)14-8-9-17-18(10-14)25-12-24-17;1-12-4-2-5-17(21-12)18-13(9-11-20-18)14-7-8-15-16(22-14)6-3-10-19-15;1-2-6-15-13(5-1)12(8-10-19-15)14-11-20-21-17(14)16-7-3-4-9-18-16;1-3-7-16-14(5-1)12(10-18-16)9-13-11-19-17-8-4-2-6-15(13)17/h2-16H,1H3,(H,28,31);2-12H,13H2,1H3,(H,25,26);5-10H,11-12H2,1-4H3;2-10H,11H2,1H3;1-11H,(H,20,21);1-8,10-11,18-19H,9H2.

What are the key properties of 2-[4-(1,3-benzodioxol-5-yl)-2-tert-butyl-3H-pyrrol-5-yl]-6-methylpyridine;1-[4-[4-(1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1H-imidazol-2-yl]phenyl]ethanone;3-(1H-indol-3-ylmethyl)-1H-indole;3-(6-methyl-2-pyridinyl)-N-phenyl-4-quinolin-4-ylpyrazole-1-carbothioamide;2-[5-(6-methyl-2-pyridinyl)-2H-pyrrol-4-yl]-1,5-naphthyridine;4-(5-pyridin-2-yl-1H-pyrazol-4-yl)quinoline?

2-[4-(1,3-benzodioxol-5-yl)-2-tert-butyl-3H-pyrrol-5-yl]-6-methylpyridine;1-[4-[4-(1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1H-imidazol-2-yl]phenyl]ethanone;3-(1H-indol-3-ylmethyl)-1H-indole;3-(6-methyl-2-pyridinyl)-N-phenyl-4-quinolin-4-ylpyrazole-1-carbothioamide;2-[5-(6-methyl-2-pyridinyl)-2H-pyrrol-4-yl]-1,5-naphthyridine;4-(5-pyridin-2-yl-1H-pyrazol-4-yl)quinoline has a molecular weight of 1944.32 g/mol, XLogP of 26.48, 15 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(1,3-benzodioxol-5-yl)-2-tert-butyl-3H-pyrrol-5-yl]-6-methylpyridine;1-[4-[4-(1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1H-imidazol-2-yl]phenyl]ethanone;3-(1H-indol-3-ylmethyl)-1H-indole;3-(6-methyl-2-pyridinyl)-N-phenyl-4-quinolin-4-ylpyrazole-1-carbothioamide;2-[5-(6-methyl-2-pyridinyl)-2H-pyrrol-4-yl]-1,5-naphthyridine;4-(5-pyridin-2-yl-1H-pyrazol-4-yl)quinoline is sourced from PubChem (CID 160679373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).