6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[3-(4-methylpiperazin-1-yl)propyl]imidazo[1,2-a]pyridine-3-carboxamide;1-[6-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]ethanone

C76H74F5N15O3 — CID 158182798

IUPAC6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[3-(4-methylpiperazin-1-yl)propyl]imidazo[1,2-a]pyridine-3-carboxamide;1-[6-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]ethanone
SMILESCC(=O)c1cnc2ccc(-c3cccnc3-c3cccc(C(F)(F)F)c3)cn12.Cc1cc(-c2ncccc2-c2ccc3ncc(C(=O)NCCCN4CCN(C)CC4)n3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncc(C(=O)NCCN4CCN(C)CC4)n3c2)ccc1F
InChIInChI=1S/C28H31FN6O.C27H29FN6O.C21H14F3N3O/c1-20-17-21(6-8-24(20)29)27-23(5-3-10-30-27)22-7-9-26-32-18-25(35(26)19-22)28(36)31-11-4-12-34-15-13-33(2)14-16-34;1-19-16-20(5-7-23(19)28)26-22(4-3-9-29-26)21-6-8-25-31-17-24(34(25)18-21)27(35)30-10-11-33-14-12-32(2)13-15-33;1-13(28)18-11-26-19-8-7-15(12-27(18)19)17-6-3-9-25-20(17)14-4-2-5-16(10-14)21(22,23)24/h3,5-10,17-19H,4,11-16H2,1-2H3,(H,31,36);3-9,16-18H,10-15H2,1-2H3,(H,30,35);2-12H,1H3
InChIKeyFYUKRNNBNXNHPE-UHFFFAOYSA-N
MW1340.52 g/mol
LogP12.65
Rot. Bonds16

About 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[3-(4-methylpiperazin-1-yl)propyl]imidazo[1,2-a]pyridine-3-carboxamide;1-[6-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]ethanone

6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[3-(4-methylpiperazin-1-yl)propyl]imidazo[1,2-a]pyridine-3-carboxamide;1-[6-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]ethanone (PubChem CID 158182798) has the molecular formula C76H74F5N15O3 and a molecular weight of 1340.52 g/mol. Its IUPAC name is 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[3-(4-methylpiperazin-1-yl)propyl]imidazo[1,2-a]pyridine-3-carboxamide;1-[6-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]ethanone.

Molecular Properties

Compound Name6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[3-(4-methylpiperazin-1-yl)propyl]imidazo[1,2-a]pyridine-3-carboxamide;1-[6-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]ethanone
PubChem CID158182798
Molecular FormulaC76H74F5N15O3
Molecular Weight1340.52 g/mol
Exact Mass1339.60
IUPAC Name6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[3-(4-methylpiperazin-1-yl)propyl]imidazo[1,2-a]pyridine-3-carboxamide;1-[6-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]ethanone
SMILESCC(=O)c1cnc2ccc(-c3cccnc3-c3cccc(C(F)(F)F)c3)cn12.Cc1cc(-c2ncccc2-c2ccc3ncc(C(=O)NCCCN4CCN(C)CC4)n3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncc(C(=O)NCCN4CCN(C)CC4)n3c2)ccc1F
InChIInChI=1S/C28H31FN6O.C27H29FN6O.C21H14F3N3O/c1-20-17-21(6-8-24(20)29)27-23(5-3-10-30-27)22-7-9-26-32-18-25(35(26)19-22)28(36)31-11-4-12-34-15-13-33(2)14-16-34;1-19-16-20(5-7-23(19)28)26-22(4-3-9-29-26)21-6-8-25-31-17-24(34(25)18-21)27(35)30-10-11-33-14-12-32(2)13-15-33;1-13(28)18-11-26-19-8-7-15(12-27(18)19)17-6-3-9-25-20(17)14-4-2-5-16(10-14)21(22,23)24/h3,5-10,17-19H,4,11-16H2,1-2H3,(H,31,36);3-9,16-18H,10-15H2,1-2H3,(H,30,35);2-12H,1H3
InChIKeyFYUKRNNBNXNHPE-UHFFFAOYSA-N
XLogP12.65
TPSA178.80 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds16
Heavy Atoms99
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001340.52
LogP ≤ 512.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[3-(4-methylpiperazin-1-yl)propyl]imidazo[1,2-a]pyridine-3-carboxamide;1-[6-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]ethanone with MolForge

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Related Compounds

N-(6-fluoro-2-pyridinyl)-6-pyridin-2-ylimidazo[1,2-a]pyridine-2-carboxamide
CID 67140847
6-[3-(2,2-Difluoroethyl)-5-(6-methylpyridin-2-yl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 135223028
US9981944, Example 19
CID 122478436
US9981944, Example 84
CID 122478437
US9981944, Example 18
CID 122478441
US9981944, Example 29
CID 122478447
US9981944, Example 82
CID 122478452
1-[(2R,3R)-3-[[6-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)pyrazin-2-yl]amino]-2-(4-fluorophenyl)pyrrolidin-1-yl]ethanone
CID 56834891
1-[(3,4-difluorophenyl)methyl]-5-ethyl-7,7-dimethyl-2-[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-8H-imidazo[2,1-b]purin-4-one
CID 57399410
Imidazo[1,2-a]pyridin-3-yl-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]methanone
CID 119098988
US9981944, Example 88
CID 122478514
US9981944, Example 90
CID 122478536

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[3-(4-methylpiperazin-1-yl)propyl]imidazo[1,2-a]pyridine-3-carboxamide;1-[6-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]ethanone?
The IUPAC name of 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[3-(4-methylpiperazin-1-yl)propyl]imidazo[1,2-a]pyridine-3-carboxamide;1-[6-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]ethanone (CID 158182798) is 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[3-(4-methylpiperazin-1-yl)propyl]imidazo[1,2-a]pyridine-3-carboxamide;1-[6-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]ethanone.
What is the SMILES notation for 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[3-(4-methylpiperazin-1-yl)propyl]imidazo[1,2-a]pyridine-3-carboxamide;1-[6-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]ethanone?
The canonical SMILES for 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[3-(4-methylpiperazin-1-yl)propyl]imidazo[1,2-a]pyridine-3-carboxamide;1-[6-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]ethanone is CC(=O)c1cnc2ccc(-c3cccnc3-c3cccc(C(F)(F)F)c3)cn12.Cc1cc(-c2ncccc2-c2ccc3ncc(C(=O)NCCCN4CCN(C)CC4)n3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncc(C(=O)NCCN4CCN(C)CC4)n3c2)ccc1F.
What is the InChIKey of 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[3-(4-methylpiperazin-1-yl)propyl]imidazo[1,2-a]pyridine-3-carboxamide;1-[6-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]ethanone?
The InChIKey is FYUKRNNBNXNHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31FN6O.C27H29FN6O.C21H14F3N3O/c1-20-17-21(6-8-24(20)29)27-23(5-3-10-30-27)22-7-9-26-32-18-25(35(26)19-22)28(36)31-11-4-12-34-15-13-33(2)14-16-34;1-19-16-20(5-7-23(19)28)26-22(4-3-9-29-26)21-6-8-25-31-17-24(34(25)18-21)27(35)30-10-11-33-14-12-32(2)13-15-33;1-13(28)18-11-26-19-8-7-15(12-27(18)19)17-6-3-9-25-20(17)14-4-2-5-16(10-14)21(22,23)24/h3,5-10,17-19H,4,11-16H2,1-2H3,(H,31,36);3-9,16-18H,10-15H2,1-2H3,(H,30,35);2-12H,1H3.
What are the key properties of 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[3-(4-methylpiperazin-1-yl)propyl]imidazo[1,2-a]pyridine-3-carboxamide;1-[6-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]ethanone?
6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[3-(4-methylpiperazin-1-yl)propyl]imidazo[1,2-a]pyridine-3-carboxamide;1-[6-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]ethanone has a molecular weight of 1340.52 g/mol, XLogP of 12.65, 16 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[3-(4-methylpiperazin-1-yl)propyl]imidazo[1,2-a]pyridine-3-carboxamide;1-[6-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]ethanone is sourced from PubChem (CID 158182798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).