3-[2-(3-tert-butylphenyl)-3-pyridinyl]-7H-pyrrolo[3,4-b]pyridine;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;5-[2-(3-methylphenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;3-[2-(3-propan-2-ylphenyl)-3-pyridinyl]-7H-pyrrolo[3,4-b]pyridine

C119H96F2N16S2 — CID 157134881

IUPAC3-[2-(3-tert-butylphenyl)-3-pyridinyl]-7H-pyrrolo[3,4-b]pyridine;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;5-[2-(3-methylphenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;3-[2-(3-propan-2-ylphenyl)-3-pyridinyl]-7H-pyrrolo[3,4-b]pyridine
SMILESCC(C)(C)c1cccc(-c2ncccc2-c2cnc3c(c2)C=NC3)c1.CC(C)c1cccc(-c2ncccc2-c2cnc3c(c2)C=NC3)c1.Cc1cc(-c2ncccc2-c2ccc3nccn3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3scnc3c2)ccc1F.Cc1cccc(-c2ncccc2-c2ccc3nccn3c2)c1.Cc1cccc(-c2ncccc2-c2ccc3scnc3c2)c1
InChIInChI=1S/C22H21N3.C21H19N3.C19H14FN3.C19H13FN2S.C19H15N3.C19H14N2S/c1-22(2,3)18-7-4-6-15(11-18)21-19(8-5-9-24-21)16-10-17-12-23-14-20(17)25-13-16;1-14(2)15-5-3-6-16(9-15)21-19(7-4-8-23-21)17-10-18-11-22-13-20(18)24-12-17;1-13-11-14(4-6-17(13)20)19-16(3-2-8-22-19)15-5-7-18-21-9-10-23(18)12-15;1-12-9-14(4-6-16(12)20)19-15(3-2-8-21-19)13-5-7-18-17(10-13)22-11-23-18;1-14-4-2-5-15(12-14)19-17(6-3-9-21-19)16-7-8-18-20-10-11-22(18)13-16;1-13-4-2-5-15(10-13)19-16(6-3-9-20-19)14-7-8-18-17(11-14)21-12-22-18/h4-13H,14H2,1-3H3;3-12,14H,13H2,1-2H3;2-12H,1H3;2-11H,1H3;2-13H,1H3;2-12H,1H3
InChIKeyAJMWJLLSJKLYJS-UHFFFAOYSA-N
MW1852.32 g/mol
LogP29.60
Rot. Bonds13

About 3-[2-(3-tert-butylphenyl)-3-pyridinyl]-7H-pyrrolo[3,4-b]pyridine;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;5-[2-(3-methylphenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;3-[2-(3-propan-2-ylphenyl)-3-pyridinyl]-7H-pyrrolo[3,4-b]pyridine

3-[2-(3-tert-butylphenyl)-3-pyridinyl]-7H-pyrrolo[3,4-b]pyridine;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;5-[2-(3-methylphenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;3-[2-(3-propan-2-ylphenyl)-3-pyridinyl]-7H-pyrrolo[3,4-b]pyridine (PubChem CID 157134881) has the molecular formula C119H96F2N16S2 and a molecular weight of 1852.32 g/mol. Its IUPAC name is 3-[2-(3-tert-butylphenyl)-3-pyridinyl]-7H-pyrrolo[3,4-b]pyridine;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;5-[2-(3-methylphenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;3-[2-(3-propan-2-ylphenyl)-3-pyridinyl]-7H-pyrrolo[3,4-b]pyridine.

Molecular Properties

Compound Name3-[2-(3-tert-butylphenyl)-3-pyridinyl]-7H-pyrrolo[3,4-b]pyridine;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;5-[2-(3-methylphenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;3-[2-(3-propan-2-ylphenyl)-3-pyridinyl]-7H-pyrrolo[3,4-b]pyridine
PubChem CID157134881
Molecular FormulaC119H96F2N16S2
Molecular Weight1852.32 g/mol
Exact Mass1850.74
IUPAC Name3-[2-(3-tert-butylphenyl)-3-pyridinyl]-7H-pyrrolo[3,4-b]pyridine;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;5-[2-(3-methylphenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;3-[2-(3-propan-2-ylphenyl)-3-pyridinyl]-7H-pyrrolo[3,4-b]pyridine
SMILESCC(C)(C)c1cccc(-c2ncccc2-c2cnc3c(c2)C=NC3)c1.CC(C)c1cccc(-c2ncccc2-c2cnc3c(c2)C=NC3)c1.Cc1cc(-c2ncccc2-c2ccc3nccn3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3scnc3c2)ccc1F.Cc1cccc(-c2ncccc2-c2ccc3nccn3c2)c1.Cc1cccc(-c2ncccc2-c2ccc3scnc3c2)c1
InChIInChI=1S/C22H21N3.C21H19N3.C19H14FN3.C19H13FN2S.C19H15N3.C19H14N2S/c1-22(2,3)18-7-4-6-15(11-18)21-19(8-5-9-24-21)16-10-17-12-23-14-20(17)25-13-16;1-14(2)15-5-3-6-16(9-15)21-19(7-4-8-23-21)17-10-18-11-22-13-20(18)24-12-17;1-13-11-14(4-6-17(13)20)19-16(3-2-8-22-19)15-5-7-18-21-9-10-23(18)12-15;1-12-9-14(4-6-16(12)20)19-15(3-2-8-21-19)13-5-7-18-17(10-13)22-11-23-18;1-14-4-2-5-15(12-14)19-17(6-3-9-21-19)16-7-8-18-20-10-11-22(18)13-16;1-13-4-2-5-15(10-13)19-16(6-3-9-20-19)14-7-8-18-17(11-14)21-12-22-18/h4-13H,14H2,1-3H3;3-12,14H,13H2,1-2H3;2-12H,1H3;2-11H,1H3;2-13H,1H3;2-12H,1H3
InChIKeyAJMWJLLSJKLYJS-UHFFFAOYSA-N
XLogP29.60
TPSA188.22 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds13
Heavy Atoms139
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001852.32
LogP ≤ 529.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 3-[2-(3-tert-butylphenyl)-3-pyridinyl]-7H-pyrrolo[3,4-b]pyridine;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;5-[2-(3-methylphenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;3-[2-(3-propan-2-ylphenyl)-3-pyridinyl]-7H-pyrrolo[3,4-b]pyridine with MolForge

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Related Compounds

2,3-Diphenylindazole;1-fluoro-2-phenylimidazo[1,2-a]quinoline;2-[2-fluoro-4-(trifluoromethyl)phenyl]pyridine;2-naphthalen-2-ylimidazo[1,2-a]pyridine;2-phenyl-1,3-benzothiazole;2-phenylimidazo[1,2-a]pyridine;1-phenylindazole;2-phenylindazole;1-phenylisoquinoline;3-phenylisoquinoline;2-phenylpyrazolo[1,5-a]pyridine;2-phenylpyridine;2-phenyl-3-(trifluoromethyl)imidazo[1,2-a]pyridine;2-thiophen-2-ylpyridine
CID 157653295
2,3-Diphenylindazole;1-fluoro-2-phenylimidazo[1,2-a]quinoline;2-[2-fluoro-4-(trifluoromethyl)phenyl]pyridine;2-phenyl-1,3-benzothiazole;2-phenylimidazo[1,2-a]pyridine;1-phenylindazole;2-phenylindazole;1-phenylisoquinoline;3-phenylisoquinoline;2-phenylpyrazolo[1,5-a]pyridine;2-phenylpyridine;2-phenyl-3-(trifluoromethyl)imidazo[1,2-a]pyridine;2-thiophen-2-ylpyridine
CID 158435881
CID 158910034
CID 158910034
3,7-Bis(2,6-dimethylphenyl)-2,8-dimethyl-11-(trifluoromethyl)-3,7,13-triazoniatricyclo[7.3.1.05,13]trideca-1(12),2,7,9(13),10-pentaene;3,7-bis(2,6-dimethylphenyl)-2,8,11-trimethyl-3,7,13-triazoniatricyclo[7.3.1.05,13]trideca-1(12),2,7,9(13),10-pentaene;10,18-dimethyl-3,25-diaza-10,18,27-triazoniaheptacyclo[14.10.1.03,11.04,9.012,27.017,25.019,24]heptacosa-4,6,8,10,12(27),13,15,17,19,21,23-undecaene;10,18-dithia-3,25,27-triazoniaheptacyclo[14.10.1.03,11.04,9.012,27.017,25.019,24]heptacosa-3(11),4,6,8,12(27),13,15,17(25),19,21,23-undecaene;3,19,21-triazoniapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9(21),10,12,14,16,18-nonaene;2,8,11-trimethyl-3,7-bis(2,4,6-trimethylphenyl)-3,7,13-triazoniatricyclo[7.3.1.05,13]trideca-1(12),2,7,9(13),10-pentaene
CID 159537615
2-[2,4-difluoro-5-phenyl-3-(trifluoromethyl)benzene-6-id-1-yl]-6-(phosphinin-1-ium-2-ylmethyl)pyridine;2-[5-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-6-[3-(2-pyridin-2-ylpropan-2-yl)phenyl]pyridine;2-[2-[6-[3-(3-ethylpentan-3-yl)-5-phenylbenzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-1,3-benzothiazole;N-[[2-[3-isothiocyanato-5-(1-methyl-3H-indol-3-id-2-yl)benzene-6-id-1-yl]-1-methylbenzimidazol-4-yl]methyl]cyclohexanimine;tetrakis(platinum(2+))
CID 159739287
6-Tert-butyl-3-(4,5-dimethylthiophen-2-yl)-2-propan-2-ylimidazo[4,5-b]pyridine;2-ethyl-3-(4-methylthiophen-2-yl)imidazo[4,5-b]pyridine;2-ethyl-6-methyl-3-thiophen-2-ylimidazo[4,5-b]pyridine;2-ethyl-3-(5-methylthiophen-2-yl)-6-propan-2-ylimidazo[4,5-b]pyridine;2-methyl-3-(4-methylthiophen-2-yl)imidazo[4,5-b]pyridine;2-methyl-3-(5-methylthiophen-2-yl)-6-phenylimidazo[4,5-b]pyridine;6-methyl-3-(3-phenylphenyl)-2-(trifluoromethyl)imidazo[4,5-b]pyridine;3-(5-methylthiophen-2-yl)-6-propan-2-ylimidazo[4,5-b]pyridine;6-phenyl-3-thiophen-2-ylimidazo[4,5-b]pyridine
CID 161531223
5-[10-(2,6-Difluoro-3-pyridinyl)anthracen-9-yl]-14-[4-[4-[3-[16-methyl-20-(1-methylcyclohexa-2,4-dien-1-yl)-9-thia-2,11,19-triazapentacyclo[10.8.0.02,10.03,8.013,18]icosa-1(12),3(8),4,6,10,13(18),14,19-octaen-5-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-20-phenyl-9-thia-2,11,19-triazapentacyclo[10.8.0.02,10.03,8.013,18]icosa-1(12),3(8),4,6,13,15,17,19-octaene
CID 163458648
2-[6-[3-[4-Fluoro-5-[2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazol-5-yl]-3-pyridinyl]pyrrolidin-1-yl]-3-pyridinyl]-5-pyridin-3-yl-1,3-benzothiazole
CID 166882889
5-[4-Fluoro-5-[1-[5-(5-pyridin-3-yl-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-yl)-2-pyridinyl]pyrrolidin-3-yl]-3-pyridinyl]-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazole
CID 167073591
10-Phenyl-2,3,6,8-tetrakis(3-phenylimidazo[4,5-b]pyridin-2-yl)phenothiazine
CID 20606853
10-Phenyl-2,4,6,8-tetrakis(3-phenylimidazo[4,5-b]pyridin-2-yl)phenothiazine
CID 23391256
5-[7-[4-(4-Methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-1,3-benzothiazole
CID 56973457

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-tert-butylphenyl)-3-pyridinyl]-7H-pyrrolo[3,4-b]pyridine;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;5-[2-(3-methylphenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;3-[2-(3-propan-2-ylphenyl)-3-pyridinyl]-7H-pyrrolo[3,4-b]pyridine?
The IUPAC name of 3-[2-(3-tert-butylphenyl)-3-pyridinyl]-7H-pyrrolo[3,4-b]pyridine;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;5-[2-(3-methylphenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;3-[2-(3-propan-2-ylphenyl)-3-pyridinyl]-7H-pyrrolo[3,4-b]pyridine (CID 157134881) is 3-[2-(3-tert-butylphenyl)-3-pyridinyl]-7H-pyrrolo[3,4-b]pyridine;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;5-[2-(3-methylphenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;3-[2-(3-propan-2-ylphenyl)-3-pyridinyl]-7H-pyrrolo[3,4-b]pyridine.
What is the SMILES notation for 3-[2-(3-tert-butylphenyl)-3-pyridinyl]-7H-pyrrolo[3,4-b]pyridine;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;5-[2-(3-methylphenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;3-[2-(3-propan-2-ylphenyl)-3-pyridinyl]-7H-pyrrolo[3,4-b]pyridine?
The canonical SMILES for 3-[2-(3-tert-butylphenyl)-3-pyridinyl]-7H-pyrrolo[3,4-b]pyridine;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;5-[2-(3-methylphenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;3-[2-(3-propan-2-ylphenyl)-3-pyridinyl]-7H-pyrrolo[3,4-b]pyridine is CC(C)(C)c1cccc(-c2ncccc2-c2cnc3c(c2)C=NC3)c1.CC(C)c1cccc(-c2ncccc2-c2cnc3c(c2)C=NC3)c1.Cc1cc(-c2ncccc2-c2ccc3nccn3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3scnc3c2)ccc1F.Cc1cccc(-c2ncccc2-c2ccc3nccn3c2)c1.Cc1cccc(-c2ncccc2-c2ccc3scnc3c2)c1.
What is the InChIKey of 3-[2-(3-tert-butylphenyl)-3-pyridinyl]-7H-pyrrolo[3,4-b]pyridine;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;5-[2-(3-methylphenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;3-[2-(3-propan-2-ylphenyl)-3-pyridinyl]-7H-pyrrolo[3,4-b]pyridine?
The InChIKey is AJMWJLLSJKLYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3.C21H19N3.C19H14FN3.C19H13FN2S.C19H15N3.C19H14N2S/c1-22(2,3)18-7-4-6-15(11-18)21-19(8-5-9-24-21)16-10-17-12-23-14-20(17)25-13-16;1-14(2)15-5-3-6-16(9-15)21-19(7-4-8-23-21)17-10-18-11-22-13-20(18)24-12-17;1-13-11-14(4-6-17(13)20)19-16(3-2-8-22-19)15-5-7-18-21-9-10-23(18)12-15;1-12-9-14(4-6-16(12)20)19-15(3-2-8-21-19)13-5-7-18-17(10-13)22-11-23-18;1-14-4-2-5-15(12-14)19-17(6-3-9-21-19)16-7-8-18-20-10-11-22(18)13-16;1-13-4-2-5-15(10-13)19-16(6-3-9-20-19)14-7-8-18-17(11-14)21-12-22-18/h4-13H,14H2,1-3H3;3-12,14H,13H2,1-2H3;2-12H,1H3;2-11H,1H3;2-13H,1H3;2-12H,1H3.
What are the key properties of 3-[2-(3-tert-butylphenyl)-3-pyridinyl]-7H-pyrrolo[3,4-b]pyridine;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;5-[2-(3-methylphenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;3-[2-(3-propan-2-ylphenyl)-3-pyridinyl]-7H-pyrrolo[3,4-b]pyridine?
3-[2-(3-tert-butylphenyl)-3-pyridinyl]-7H-pyrrolo[3,4-b]pyridine;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;5-[2-(3-methylphenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;3-[2-(3-propan-2-ylphenyl)-3-pyridinyl]-7H-pyrrolo[3,4-b]pyridine has a molecular weight of 1852.32 g/mol, XLogP of 29.60, 13 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-tert-butylphenyl)-3-pyridinyl]-7H-pyrrolo[3,4-b]pyridine;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;5-[2-(3-methylphenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;3-[2-(3-propan-2-ylphenyl)-3-pyridinyl]-7H-pyrrolo[3,4-b]pyridine is sourced from PubChem (CID 157134881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).