6-chloro-4-methylsulfanyl-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;2,6-dichloro-4-methylsulfanylpyridine;2,3-dimethylimidazo[1,2-a]pyridine;4-methylaniline;6-(2-methylimidazo[1,2-a]pyridin-3-yl)-4-methylsulfanyl-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine

C56H51Cl3F6N10S3 — CID 160676772

IUPAC6-chloro-4-methylsulfanyl-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;2,6-dichloro-4-methylsulfanylpyridine;2,3-dimethylimidazo[1,2-a]pyridine;4-methylaniline;6-(2-methylimidazo[1,2-a]pyridin-3-yl)-4-methylsulfanyl-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine
SMILESCSc1cc(Cl)nc(Cl)c1.CSc1cc(Cl)nc(Nc2ccc(C(F)(F)F)cc2)c1.CSc1cc(Nc2ccc(C(F)(F)F)cc2)nc(-c2c(C)nc3ccccn23)c1.Cc1ccc(N)cc1.Cc1nc2ccccn2c1C
InChIInChI=1S/C21H17F3N4S.C13H10ClF3N2S.C9H10N2.C7H9N.C6H5Cl2NS/c1-13-20(28-10-4-3-5-19(28)25-13)17-11-16(29-2)12-18(27-17)26-15-8-6-14(7-9-15)21(22,23)24;1-20-10-6-11(14)19-12(7-10)18-9-4-2-8(3-5-9)13(15,16)17;1-7-8(2)11-6-4-3-5-9(11)10-7;1-6-2-4-7(8)5-3-6;1-10-4-2-5(7)9-6(8)3-4/h3-12H,1-2H3,(H,26,27);2-7H,1H3,(H,18,19);3-6H,1-2H3;2-5H,8H2,1H3;2-3H,1H3
InChIKeyRNQBPVQEZLIMKS-UHFFFAOYSA-N
MW1180.64 g/mol
LogP18.05
Rot. Bonds8

About 6-chloro-4-methylsulfanyl-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;2,6-dichloro-4-methylsulfanylpyridine;2,3-dimethylimidazo[1,2-a]pyridine;4-methylaniline;6-(2-methylimidazo[1,2-a]pyridin-3-yl)-4-methylsulfanyl-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine

6-chloro-4-methylsulfanyl-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;2,6-dichloro-4-methylsulfanylpyridine;2,3-dimethylimidazo[1,2-a]pyridine;4-methylaniline;6-(2-methylimidazo[1,2-a]pyridin-3-yl)-4-methylsulfanyl-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine (PubChem CID 160676772) has the molecular formula C56H51Cl3F6N10S3 and a molecular weight of 1180.64 g/mol. Its IUPAC name is 6-chloro-4-methylsulfanyl-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;2,6-dichloro-4-methylsulfanylpyridine;2,3-dimethylimidazo[1,2-a]pyridine;4-methylaniline;6-(2-methylimidazo[1,2-a]pyridin-3-yl)-4-methylsulfanyl-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-4-methylsulfanyl-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;2,6-dichloro-4-methylsulfanylpyridine;2,3-dimethylimidazo[1,2-a]pyridine;4-methylaniline;6-(2-methylimidazo[1,2-a]pyridin-3-yl)-4-methylsulfanyl-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine
PubChem CID160676772
Molecular FormulaC56H51Cl3F6N10S3
Molecular Weight1180.64 g/mol
Exact Mass1178.24
IUPAC Name6-chloro-4-methylsulfanyl-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;2,6-dichloro-4-methylsulfanylpyridine;2,3-dimethylimidazo[1,2-a]pyridine;4-methylaniline;6-(2-methylimidazo[1,2-a]pyridin-3-yl)-4-methylsulfanyl-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine
SMILESCSc1cc(Cl)nc(Cl)c1.CSc1cc(Cl)nc(Nc2ccc(C(F)(F)F)cc2)c1.CSc1cc(Nc2ccc(C(F)(F)F)cc2)nc(-c2c(C)nc3ccccn23)c1.Cc1ccc(N)cc1.Cc1nc2ccccn2c1C
InChIInChI=1S/C21H17F3N4S.C13H10ClF3N2S.C9H10N2.C7H9N.C6H5Cl2NS/c1-13-20(28-10-4-3-5-19(28)25-13)17-11-16(29-2)12-18(27-17)26-15-8-6-14(7-9-15)21(22,23)24;1-20-10-6-11(14)19-12(7-10)18-9-4-2-8(3-5-9)13(15,16)17;1-7-8(2)11-6-4-3-5-9(11)10-7;1-6-2-4-7(8)5-3-6;1-10-4-2-5(7)9-6(8)3-4/h3-12H,1-2H3,(H,26,27);2-7H,1H3,(H,18,19);3-6H,1-2H3;2-5H,8H2,1H3;2-3H,1H3
InChIKeyRNQBPVQEZLIMKS-UHFFFAOYSA-N
XLogP18.05
TPSA123.35 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds8
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001180.64
LogP ≤ 518.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

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 6-chloro-4-methylsulfanyl-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;2,6-dichloro-4-methylsulfanylpyridine;2,3-dimethylimidazo[1,2-a]pyridine;4-methylaniline;6-(2-methylimidazo[1,2-a]pyridin-3-yl)-4-methylsulfanyl-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine with MolForge

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Related Compounds

6-(5-chloro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(6-chloro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 118094765
4-methylsulfanyl-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine
CID 118101404
6-(2-methylimidazo[1,2-a]pyridin-3-yl)-4-methylsulfanyl-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine
CID 118101437
N-[4-(fluoromethyl)phenyl]-4-methylsulfanyl-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine
CID 122580337
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
2-(chloromethyl)-5-(trifluoromethyl)imidazo[1,2-a]pyridine;2-[(1-methyl-4-phenyl-2,3-dihydropyrrol-2-yl)sulfanylmethyl]-5-(trifluoromethyl)imidazo[1,2-a]pyridine;1-methyl-4-phenyl-3H-pyrrole-2-thione;6-methylpyridin-2-amine
CID 157160435
3-(6-chloro-2-pyridinyl)-6-(difluoromethyl)imidazo[1,2-a]pyrazine;N-[[(3S,5S)-1-[6-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-2-pyridinyl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide;methane
CID 157313909
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
3-(6-chloropyrazin-2-yl)-2-methylimidazo[1,2-a]pyridine;6-(2-methylimidazo[1,2-a]pyridin-3-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazin-2-amine;5-methylpyridin-2-amine
CID 157888834
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
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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-methylsulfanyl-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;2,6-dichloro-4-methylsulfanylpyridine;2,3-dimethylimidazo[1,2-a]pyridine;4-methylaniline;6-(2-methylimidazo[1,2-a]pyridin-3-yl)-4-methylsulfanyl-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine?
The IUPAC name of 6-chloro-4-methylsulfanyl-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;2,6-dichloro-4-methylsulfanylpyridine;2,3-dimethylimidazo[1,2-a]pyridine;4-methylaniline;6-(2-methylimidazo[1,2-a]pyridin-3-yl)-4-methylsulfanyl-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine (CID 160676772) is 6-chloro-4-methylsulfanyl-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;2,6-dichloro-4-methylsulfanylpyridine;2,3-dimethylimidazo[1,2-a]pyridine;4-methylaniline;6-(2-methylimidazo[1,2-a]pyridin-3-yl)-4-methylsulfanyl-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine.
What is the SMILES notation for 6-chloro-4-methylsulfanyl-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;2,6-dichloro-4-methylsulfanylpyridine;2,3-dimethylimidazo[1,2-a]pyridine;4-methylaniline;6-(2-methylimidazo[1,2-a]pyridin-3-yl)-4-methylsulfanyl-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine?
The canonical SMILES for 6-chloro-4-methylsulfanyl-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;2,6-dichloro-4-methylsulfanylpyridine;2,3-dimethylimidazo[1,2-a]pyridine;4-methylaniline;6-(2-methylimidazo[1,2-a]pyridin-3-yl)-4-methylsulfanyl-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine is CSc1cc(Cl)nc(Cl)c1.CSc1cc(Cl)nc(Nc2ccc(C(F)(F)F)cc2)c1.CSc1cc(Nc2ccc(C(F)(F)F)cc2)nc(-c2c(C)nc3ccccn23)c1.Cc1ccc(N)cc1.Cc1nc2ccccn2c1C.
What is the InChIKey of 6-chloro-4-methylsulfanyl-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;2,6-dichloro-4-methylsulfanylpyridine;2,3-dimethylimidazo[1,2-a]pyridine;4-methylaniline;6-(2-methylimidazo[1,2-a]pyridin-3-yl)-4-methylsulfanyl-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine?
The InChIKey is RNQBPVQEZLIMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N4S.C13H10ClF3N2S.C9H10N2.C7H9N.C6H5Cl2NS/c1-13-20(28-10-4-3-5-19(28)25-13)17-11-16(29-2)12-18(27-17)26-15-8-6-14(7-9-15)21(22,23)24;1-20-10-6-11(14)19-12(7-10)18-9-4-2-8(3-5-9)13(15,16)17;1-7-8(2)11-6-4-3-5-9(11)10-7;1-6-2-4-7(8)5-3-6;1-10-4-2-5(7)9-6(8)3-4/h3-12H,1-2H3,(H,26,27);2-7H,1H3,(H,18,19);3-6H,1-2H3;2-5H,8H2,1H3;2-3H,1H3.
What are the key properties of 6-chloro-4-methylsulfanyl-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;2,6-dichloro-4-methylsulfanylpyridine;2,3-dimethylimidazo[1,2-a]pyridine;4-methylaniline;6-(2-methylimidazo[1,2-a]pyridin-3-yl)-4-methylsulfanyl-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine?
6-chloro-4-methylsulfanyl-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;2,6-dichloro-4-methylsulfanylpyridine;2,3-dimethylimidazo[1,2-a]pyridine;4-methylaniline;6-(2-methylimidazo[1,2-a]pyridin-3-yl)-4-methylsulfanyl-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine has a molecular weight of 1180.64 g/mol, XLogP of 18.05, 8 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-methylsulfanyl-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;2,6-dichloro-4-methylsulfanylpyridine;2,3-dimethylimidazo[1,2-a]pyridine;4-methylaniline;6-(2-methylimidazo[1,2-a]pyridin-3-yl)-4-methylsulfanyl-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine is sourced from PubChem (CID 160676772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).