6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid;[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-(4-methylpiperazin-1-yl)methanone;[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone;6-[2-(3-methylphenyl)-3-pyridinyl]-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridine

C97H84F3N15O8 — CID 159540456

IUPAC6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid;[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-(4-methylpiperazin-1-yl)methanone;[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone;6-[2-(3-methylphenyl)-3-pyridinyl]-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridine
SMILESCOc1cc(-c2cnc3ccc(-c4cccnc4-c4cccc(C)c4)cn23)cc(OC)c1OC.Cc1cc(-c2ncccc2-c2ccc3ncc(C(=O)N4CCN(C)CC4)n3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncc(C(=O)N4CCOCC4)n3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncc(C(=O)O)n3c2)ccc1F
InChIInChI=1S/C28H25N3O3.C25H24FN5O.C24H21FN4O2.C20H14FN3O2/c1-18-7-5-8-19(13-18)27-22(9-6-12-29-27)20-10-11-26-30-16-23(31(26)17-20)21-14-24(32-2)28(34-4)25(15-21)33-3;1-17-14-18(5-7-21(17)26)24-20(4-3-9-27-24)19-6-8-23-28-15-22(31(23)16-19)25(32)30-12-10-29(2)11-13-30;1-16-13-17(4-6-20(16)25)23-19(3-2-8-26-23)18-5-7-22-27-14-21(29(22)15-18)24(30)28-9-11-31-12-10-28;1-12-9-13(4-6-16(12)21)19-15(3-2-8-22-19)14-5-7-18-23-10-17(20(25)26)24(18)11-14/h5-17H,1-4H3;3-9,14-16H,10-13H2,1-2H3;2-8,13-15H,9-12H2,1H3;2-11H,1H3,(H,25,26)
InChIKeyMEDFNIIBHYPGLR-UHFFFAOYSA-N
MW1644.83 g/mol
LogP18.16
Rot. Bonds15

About 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid;[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-(4-methylpiperazin-1-yl)methanone;[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone;6-[2-(3-methylphenyl)-3-pyridinyl]-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridine

6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid;[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-(4-methylpiperazin-1-yl)methanone;[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone;6-[2-(3-methylphenyl)-3-pyridinyl]-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridine (PubChem CID 159540456) has the molecular formula C97H84F3N15O8 and a molecular weight of 1644.83 g/mol. Its IUPAC name is 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid;[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-(4-methylpiperazin-1-yl)methanone;[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone;6-[2-(3-methylphenyl)-3-pyridinyl]-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid;[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-(4-methylpiperazin-1-yl)methanone;[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone;6-[2-(3-methylphenyl)-3-pyridinyl]-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridine
PubChem CID159540456
Molecular FormulaC97H84F3N15O8
Molecular Weight1644.83 g/mol
Exact Mass1643.66
IUPAC Name6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid;[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-(4-methylpiperazin-1-yl)methanone;[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone;6-[2-(3-methylphenyl)-3-pyridinyl]-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridine
SMILESCOc1cc(-c2cnc3ccc(-c4cccnc4-c4cccc(C)c4)cn23)cc(OC)c1OC.Cc1cc(-c2ncccc2-c2ccc3ncc(C(=O)N4CCN(C)CC4)n3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncc(C(=O)N4CCOCC4)n3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncc(C(=O)O)n3c2)ccc1F
InChIInChI=1S/C28H25N3O3.C25H24FN5O.C24H21FN4O2.C20H14FN3O2/c1-18-7-5-8-19(13-18)27-22(9-6-12-29-27)20-10-11-26-30-16-23(31(26)17-20)21-14-24(32-2)28(34-4)25(15-21)33-3;1-17-14-18(5-7-21(17)26)24-20(4-3-9-27-24)19-6-8-23-28-15-22(31(23)16-19)25(32)30-12-10-29(2)11-13-30;1-16-13-17(4-6-20(16)25)23-19(3-2-8-26-23)18-5-7-22-27-14-21(29(22)15-18)24(30)28-9-11-31-12-10-28;1-12-9-13(4-6-16(12)21)19-15(3-2-8-22-19)14-5-7-18-23-10-17(20(25)26)24(18)11-14/h5-17H,1-4H3;3-9,14-16H,10-13H2,1-2H3;2-8,13-15H,9-12H2,1H3;2-11H,1H3,(H,25,26)
InChIKeyMEDFNIIBHYPGLR-UHFFFAOYSA-N
XLogP18.16
TPSA238.84 Ų
H-Bond Donors1
H-Bond Acceptors20
Rotatable Bonds15
Heavy Atoms123
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001644.83
LogP ≤ 518.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1020

Analyze 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid;[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-(4-methylpiperazin-1-yl)methanone;[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone;6-[2-(3-methylphenyl)-3-pyridinyl]-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid;[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-(4-methylpiperazin-1-yl)methanone;[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone;6-[2-(3-methylphenyl)-3-pyridinyl]-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridine?
The IUPAC name of 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid;[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-(4-methylpiperazin-1-yl)methanone;[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone;6-[2-(3-methylphenyl)-3-pyridinyl]-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridine (CID 159540456) is 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid;[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-(4-methylpiperazin-1-yl)methanone;[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone;6-[2-(3-methylphenyl)-3-pyridinyl]-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid;[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-(4-methylpiperazin-1-yl)methanone;[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone;6-[2-(3-methylphenyl)-3-pyridinyl]-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid;[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-(4-methylpiperazin-1-yl)methanone;[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone;6-[2-(3-methylphenyl)-3-pyridinyl]-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridine is COc1cc(-c2cnc3ccc(-c4cccnc4-c4cccc(C)c4)cn23)cc(OC)c1OC.Cc1cc(-c2ncccc2-c2ccc3ncc(C(=O)N4CCN(C)CC4)n3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncc(C(=O)N4CCOCC4)n3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncc(C(=O)O)n3c2)ccc1F.
What is the InChIKey of 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid;[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-(4-methylpiperazin-1-yl)methanone;[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone;6-[2-(3-methylphenyl)-3-pyridinyl]-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridine?
The InChIKey is MEDFNIIBHYPGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N3O3.C25H24FN5O.C24H21FN4O2.C20H14FN3O2/c1-18-7-5-8-19(13-18)27-22(9-6-12-29-27)20-10-11-26-30-16-23(31(26)17-20)21-14-24(32-2)28(34-4)25(15-21)33-3;1-17-14-18(5-7-21(17)26)24-20(4-3-9-27-24)19-6-8-23-28-15-22(31(23)16-19)25(32)30-12-10-29(2)11-13-30;1-16-13-17(4-6-20(16)25)23-19(3-2-8-26-23)18-5-7-22-27-14-21(29(22)15-18)24(30)28-9-11-31-12-10-28;1-12-9-13(4-6-16(12)21)19-15(3-2-8-22-19)14-5-7-18-23-10-17(20(25)26)24(18)11-14/h5-17H,1-4H3;3-9,14-16H,10-13H2,1-2H3;2-8,13-15H,9-12H2,1H3;2-11H,1H3,(H,25,26).
What are the key properties of 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid;[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-(4-methylpiperazin-1-yl)methanone;[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone;6-[2-(3-methylphenyl)-3-pyridinyl]-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridine?
6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid;[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-(4-methylpiperazin-1-yl)methanone;[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone;6-[2-(3-methylphenyl)-3-pyridinyl]-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridine has a molecular weight of 1644.83 g/mol, XLogP of 18.16, 15 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid;[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-(4-methylpiperazin-1-yl)methanone;[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone;6-[2-(3-methylphenyl)-3-pyridinyl]-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 159540456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).