3-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridin-3-yl]aniline;4-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]benzenesulfonamide;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-(3-methoxyphenyl)imidazo[1,5-a]pyridine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-pyridin-4-ylimidazo[1,5-a]pyridine

C100H75F4N15O3S — CID 158298176

IUPAC3-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridin-3-yl]aniline;4-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]benzenesulfonamide;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-(3-methoxyphenyl)imidazo[1,5-a]pyridine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-pyridin-4-ylimidazo[1,5-a]pyridine
SMILESCOc1cccc(-c2ncc3ccc(-c4cccnc4-c4ccc(F)c(C)c4)cn23)c1.Cc1cc(-c2ncccc2-c2ccc3cnc(-c4cccc(N)c4)n3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3cnc(-c4ccncc4)n3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncc(-c4ccc(S(N)(=O)=O)cc4)n3c2)ccc1F
InChIInChI=1S/C26H20FN3O.C25H19FN4O2S.C25H19FN4.C24H17FN4/c1-17-13-18(9-11-24(17)27)25-23(7-4-12-28-25)20-8-10-21-15-29-26(30(21)16-20)19-5-3-6-22(14-19)31-2;1-16-13-18(6-10-22(16)26)25-21(3-2-12-28-25)19-7-11-24-29-14-23(30(24)15-19)17-4-8-20(9-5-17)33(27,31)32;1-16-12-17(8-10-23(16)26)24-22(6-3-11-28-24)19-7-9-21-14-29-25(30(21)15-19)18-4-2-5-20(27)13-18;1-16-13-18(5-7-22(16)25)23-21(3-2-10-27-23)19-4-6-20-14-28-24(29(20)15-19)17-8-11-26-12-9-17/h3-16H,1-2H3;2-15H,1H3,(H2,27,31,32);2-15H,27H2,1H3;2-15H,1H3
InChIKeyGMEAQZSBIFVBFN-UHFFFAOYSA-N
MW1642.86 g/mol
LogP22.34
Rot. Bonds14

About 3-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridin-3-yl]aniline;4-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]benzenesulfonamide;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-(3-methoxyphenyl)imidazo[1,5-a]pyridine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-pyridin-4-ylimidazo[1,5-a]pyridine

3-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridin-3-yl]aniline;4-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]benzenesulfonamide;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-(3-methoxyphenyl)imidazo[1,5-a]pyridine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-pyridin-4-ylimidazo[1,5-a]pyridine (PubChem CID 158298176) has the molecular formula C100H75F4N15O3S and a molecular weight of 1642.86 g/mol. Its IUPAC name is 3-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridin-3-yl]aniline;4-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]benzenesulfonamide;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-(3-methoxyphenyl)imidazo[1,5-a]pyridine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-pyridin-4-ylimidazo[1,5-a]pyridine.

Molecular Properties

Compound Name3-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridin-3-yl]aniline;4-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]benzenesulfonamide;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-(3-methoxyphenyl)imidazo[1,5-a]pyridine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-pyridin-4-ylimidazo[1,5-a]pyridine
PubChem CID158298176
Molecular FormulaC100H75F4N15O3S
Molecular Weight1642.86 g/mol
Exact Mass1641.58
IUPAC Name3-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridin-3-yl]aniline;4-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]benzenesulfonamide;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-(3-methoxyphenyl)imidazo[1,5-a]pyridine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-pyridin-4-ylimidazo[1,5-a]pyridine
SMILESCOc1cccc(-c2ncc3ccc(-c4cccnc4-c4ccc(F)c(C)c4)cn23)c1.Cc1cc(-c2ncccc2-c2ccc3cnc(-c4cccc(N)c4)n3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3cnc(-c4ccncc4)n3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncc(-c4ccc(S(N)(=O)=O)cc4)n3c2)ccc1F
InChIInChI=1S/C26H20FN3O.C25H19FN4O2S.C25H19FN4.C24H17FN4/c1-17-13-18(9-11-24(17)27)25-23(7-4-12-28-25)20-8-10-21-15-29-26(30(21)16-20)19-5-3-6-22(14-19)31-2;1-16-13-18(6-10-22(16)26)25-21(3-2-12-28-25)19-7-11-24-29-14-23(30(24)15-19)17-4-8-20(9-5-17)33(27,31)32;1-16-12-17(8-10-23(16)26)24-22(6-3-11-28-24)19-7-9-21-14-29-25(30(21)15-19)18-4-2-5-20(27)13-18;1-16-13-18(5-7-22(16)25)23-21(3-2-10-27-23)19-4-6-20-14-28-24(29(20)15-19)17-8-11-26-12-9-17/h3-16H,1-2H3;2-15H,1H3,(H2,27,31,32);2-15H,27H2,1H3;2-15H,1H3
InChIKeyGMEAQZSBIFVBFN-UHFFFAOYSA-N
XLogP22.34
TPSA229.06 Ų
H-Bond Donors2
H-Bond Acceptors17
Rotatable Bonds14
Heavy Atoms123
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001642.86
LogP ≤ 522.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze 3-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridin-3-yl]aniline;4-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]benzenesulfonamide;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-(3-methoxyphenyl)imidazo[1,5-a]pyridine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-pyridin-4-ylimidazo[1,5-a]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridin-3-yl]aniline;4-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]benzenesulfonamide;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-(3-methoxyphenyl)imidazo[1,5-a]pyridine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-pyridin-4-ylimidazo[1,5-a]pyridine?
The IUPAC name of 3-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridin-3-yl]aniline;4-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]benzenesulfonamide;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-(3-methoxyphenyl)imidazo[1,5-a]pyridine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-pyridin-4-ylimidazo[1,5-a]pyridine (CID 158298176) is 3-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridin-3-yl]aniline;4-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]benzenesulfonamide;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-(3-methoxyphenyl)imidazo[1,5-a]pyridine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-pyridin-4-ylimidazo[1,5-a]pyridine.
What is the SMILES notation for 3-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridin-3-yl]aniline;4-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]benzenesulfonamide;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-(3-methoxyphenyl)imidazo[1,5-a]pyridine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-pyridin-4-ylimidazo[1,5-a]pyridine?
The canonical SMILES for 3-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridin-3-yl]aniline;4-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]benzenesulfonamide;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-(3-methoxyphenyl)imidazo[1,5-a]pyridine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-pyridin-4-ylimidazo[1,5-a]pyridine is COc1cccc(-c2ncc3ccc(-c4cccnc4-c4ccc(F)c(C)c4)cn23)c1.Cc1cc(-c2ncccc2-c2ccc3cnc(-c4cccc(N)c4)n3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3cnc(-c4ccncc4)n3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncc(-c4ccc(S(N)(=O)=O)cc4)n3c2)ccc1F.
What is the InChIKey of 3-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridin-3-yl]aniline;4-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]benzenesulfonamide;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-(3-methoxyphenyl)imidazo[1,5-a]pyridine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-pyridin-4-ylimidazo[1,5-a]pyridine?
The InChIKey is GMEAQZSBIFVBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FN3O.C25H19FN4O2S.C25H19FN4.C24H17FN4/c1-17-13-18(9-11-24(17)27)25-23(7-4-12-28-25)20-8-10-21-15-29-26(30(21)16-20)19-5-3-6-22(14-19)31-2;1-16-13-18(6-10-22(16)26)25-21(3-2-12-28-25)19-7-11-24-29-14-23(30(24)15-19)17-4-8-20(9-5-17)33(27,31)32;1-16-12-17(8-10-23(16)26)24-22(6-3-11-28-24)19-7-9-21-14-29-25(30(21)15-19)18-4-2-5-20(27)13-18;1-16-13-18(5-7-22(16)25)23-21(3-2-10-27-23)19-4-6-20-14-28-24(29(20)15-19)17-8-11-26-12-9-17/h3-16H,1-2H3;2-15H,1H3,(H2,27,31,32);2-15H,27H2,1H3;2-15H,1H3.
What are the key properties of 3-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridin-3-yl]aniline;4-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]benzenesulfonamide;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-(3-methoxyphenyl)imidazo[1,5-a]pyridine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-pyridin-4-ylimidazo[1,5-a]pyridine?
3-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridin-3-yl]aniline;4-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]benzenesulfonamide;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-(3-methoxyphenyl)imidazo[1,5-a]pyridine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-pyridin-4-ylimidazo[1,5-a]pyridine has a molecular weight of 1642.86 g/mol, XLogP of 22.34, 14 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridin-3-yl]aniline;4-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]benzenesulfonamide;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-(3-methoxyphenyl)imidazo[1,5-a]pyridine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-pyridin-4-ylimidazo[1,5-a]pyridine is sourced from PubChem (CID 158298176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).