2-chloro-6-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pyridine-4-carbonitrile;2,6-dichloropyridine-4-carbonitrile;2,3-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;4-methylaniline;2-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile

C57H56Cl3F3N14 — CID 158593518

IUPAC2-chloro-6-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pyridine-4-carbonitrile;2,6-dichloropyridine-4-carbonitrile;2,3-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;4-methylaniline;2-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile
SMILESCc1ccc(N)cc1.Cc1nc2n(c1-c1cc(C#N)cc(Cl)n1)CCCC2.Cc1nc2n(c1-c1cc(C#N)cc(Nc3ccc(C(F)(F)F)cc3)n1)CCCC2.Cc1nc2n(c1C)CCCC2.N#Cc1cc(Cl)nc(Cl)c1
InChIInChI=1S/C21H18F3N5.C14H13ClN4.C9H14N2.C7H9N.C6H2Cl2N2/c1-13-20(29-9-3-2-4-19(29)26-13)17-10-14(12-25)11-18(28-17)27-16-7-5-15(6-8-16)21(22,23)24;1-9-14(19-5-3-2-4-13(19)17-9)11-6-10(8-16)7-12(15)18-11;1-7-8(2)11-6-4-3-5-9(11)10-7;1-6-2-4-7(8)5-3-6;7-5-1-4(3-9)2-6(8)10-5/h5-8,10-11H,2-4,9H2,1H3,(H,27,28);6-7H,2-5H2,1H3;3-6H2,1-2H3;2-5H,8H2,1H3;1-2H
InChIKeyHUSTUAVDHPGSPM-UHFFFAOYSA-N
MW1100.53 g/mol
LogP14.01
Rot. Bonds4

About 2-chloro-6-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pyridine-4-carbonitrile;2,6-dichloropyridine-4-carbonitrile;2,3-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;4-methylaniline;2-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile

2-chloro-6-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pyridine-4-carbonitrile;2,6-dichloropyridine-4-carbonitrile;2,3-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;4-methylaniline;2-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile (PubChem CID 158593518) has the molecular formula C57H56Cl3F3N14 and a molecular weight of 1100.53 g/mol. Its IUPAC name is 2-chloro-6-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pyridine-4-carbonitrile;2,6-dichloropyridine-4-carbonitrile;2,3-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;4-methylaniline;2-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-chloro-6-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pyridine-4-carbonitrile;2,6-dichloropyridine-4-carbonitrile;2,3-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;4-methylaniline;2-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile
PubChem CID158593518
Molecular FormulaC57H56Cl3F3N14
Molecular Weight1100.53 g/mol
Exact Mass1098.38
IUPAC Name2-chloro-6-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pyridine-4-carbonitrile;2,6-dichloropyridine-4-carbonitrile;2,3-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;4-methylaniline;2-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile
SMILESCc1ccc(N)cc1.Cc1nc2n(c1-c1cc(C#N)cc(Cl)n1)CCCC2.Cc1nc2n(c1-c1cc(C#N)cc(Nc3ccc(C(F)(F)F)cc3)n1)CCCC2.Cc1nc2n(c1C)CCCC2.N#Cc1cc(Cl)nc(Cl)c1
InChIInChI=1S/C21H18F3N5.C14H13ClN4.C9H14N2.C7H9N.C6H2Cl2N2/c1-13-20(29-9-3-2-4-19(29)26-13)17-10-14(12-25)11-18(28-17)27-16-7-5-15(6-8-16)21(22,23)24;1-9-14(19-5-3-2-4-13(19)17-9)11-6-10(8-16)7-12(15)18-11;1-7-8(2)11-6-4-3-5-9(11)10-7;1-6-2-4-7(8)5-3-6;7-5-1-4(3-9)2-6(8)10-5/h5-8,10-11H,2-4,9H2,1H3,(H,27,28);6-7H,2-5H2,1H3;3-6H2,1-2H3;2-5H,8H2,1H3;1-2H
InChIKeyHUSTUAVDHPGSPM-UHFFFAOYSA-N
XLogP14.01
TPSA201.55 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds4
Heavy Atoms77
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001100.53
LogP ≤ 514.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-chloro-6-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pyridine-4-carbonitrile;2,6-dichloropyridine-4-carbonitrile;2,3-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;4-methylaniline;2-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile with MolForge

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Related Compounds

3-[8-Amino-5-(3,5-dichlorophenyl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile;6-(2-fluorophenyl)-5-[2-methyl-6-(trifluoromethyl)pyridin-4-yl]imidazo[1,2-a]pyrazin-8-amine
CID 137372687
2-Chloro-6-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile;2,6-dichloropyridine-4-carbonitrile;methane
CID 144848730
N-(4-fluorophenyl)-6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine;4-[[6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-yl]amino]benzonitrile
CID 146432642
7-[5-chloro-6-[(2S,6R)-6-[3-methyl-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]piperidin-2-yl]-3-pyridinyl]-2-[(2R,6S)-6-[5-[2-[(2R,6S)-6-(3-chloro-2-pyridinyl)piperidin-2-yl]-3-fluoro-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-7-yl]-3-methyl-2-pyridinyl]piperidin-2-yl]-3-fluoro-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine
CID 156281651
3-(6-chloro-2-pyridinyl)-2-methylimidazo[1,2-a]pyridine;4-methylaniline;6-(2-methylimidazo[1,2-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine
CID 157532580
N-[(3-chlorophenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;N-[(3,4-difluorophenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-hexylpyrimidin-2-amine;4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine
CID 158145853
3-(6-chloropyrazin-2-yl)-2-methyl-5,6,7,8-tetrahydroindolizine;2,6-dichloropyrazine;2,3-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;4-methylaniline;2-methylimidazo[1,2-a]pyridine;2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;6-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 158403718
3-(6-chloro-5-methyl-2-pyridinyl)-2-methylimidazo[1,2-a]pyridine;2,6-dichloro-3-methylpyridine;2,6-dichloropyridine;2,3-dimethylimidazo[1,2-a]pyridine;4-methylaniline;3-methyl-6-(2-methylimidazo[1,2-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine
CID 158464831
3-(6-chloro-4-nitro-2-pyridinyl)-6-fluoro-2-methylimidazo[1,2-a]pyridine;2,6-dichloro-4-nitropyridine;6-fluoro-2,3-dimethylimidazo[1,2-a]pyridine;6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-nitro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;4-methylaniline
CID 158781042
N-(4-chlorophenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 158988756
N-(4-chlorophenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-amine;2-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 159206524
N-(4-chlorophenyl)-6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine;N-(4-ethenylphenyl)-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;N-(4-ethynylphenyl)-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;N-(4-fluorophenyl)-6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine;6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-phenylpyrazin-2-amine;4-[[6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-yl]amino]benzonitrile
CID 160164804

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pyridine-4-carbonitrile;2,6-dichloropyridine-4-carbonitrile;2,3-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;4-methylaniline;2-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile?
The IUPAC name of 2-chloro-6-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pyridine-4-carbonitrile;2,6-dichloropyridine-4-carbonitrile;2,3-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;4-methylaniline;2-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile (CID 158593518) is 2-chloro-6-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pyridine-4-carbonitrile;2,6-dichloropyridine-4-carbonitrile;2,3-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;4-methylaniline;2-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile.
What is the SMILES notation for 2-chloro-6-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pyridine-4-carbonitrile;2,6-dichloropyridine-4-carbonitrile;2,3-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;4-methylaniline;2-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile?
The canonical SMILES for 2-chloro-6-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pyridine-4-carbonitrile;2,6-dichloropyridine-4-carbonitrile;2,3-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;4-methylaniline;2-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile is Cc1ccc(N)cc1.Cc1nc2n(c1-c1cc(C#N)cc(Cl)n1)CCCC2.Cc1nc2n(c1-c1cc(C#N)cc(Nc3ccc(C(F)(F)F)cc3)n1)CCCC2.Cc1nc2n(c1C)CCCC2.N#Cc1cc(Cl)nc(Cl)c1.
What is the InChIKey of 2-chloro-6-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pyridine-4-carbonitrile;2,6-dichloropyridine-4-carbonitrile;2,3-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;4-methylaniline;2-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile?
The InChIKey is HUSTUAVDHPGSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N5.C14H13ClN4.C9H14N2.C7H9N.C6H2Cl2N2/c1-13-20(29-9-3-2-4-19(29)26-13)17-10-14(12-25)11-18(28-17)27-16-7-5-15(6-8-16)21(22,23)24;1-9-14(19-5-3-2-4-13(19)17-9)11-6-10(8-16)7-12(15)18-11;1-7-8(2)11-6-4-3-5-9(11)10-7;1-6-2-4-7(8)5-3-6;7-5-1-4(3-9)2-6(8)10-5/h5-8,10-11H,2-4,9H2,1H3,(H,27,28);6-7H,2-5H2,1H3;3-6H2,1-2H3;2-5H,8H2,1H3;1-2H.
What are the key properties of 2-chloro-6-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pyridine-4-carbonitrile;2,6-dichloropyridine-4-carbonitrile;2,3-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;4-methylaniline;2-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile?
2-chloro-6-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pyridine-4-carbonitrile;2,6-dichloropyridine-4-carbonitrile;2,3-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;4-methylaniline;2-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile has a molecular weight of 1100.53 g/mol, XLogP of 14.01, 4 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pyridine-4-carbonitrile;2,6-dichloropyridine-4-carbonitrile;2,3-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;4-methylaniline;2-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile is sourced from PubChem (CID 158593518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).