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

C46H43ClF6N8S2 — CID 157160435

IUPAC2-(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
SMILESCN1C=C(c2ccccc2)CC1=S.CN1C=C(c2ccccc2)CC1SCc1cn2c(C(F)(F)F)cccc2n1.Cc1cccc(N)n1.FC(F)(F)c1cccc2nc(CCl)cn12
InChIInChI=1S/C20H18F3N3S.C11H11NS.C9H6ClF3N2.C6H8N2/c1-25-11-15(14-6-3-2-4-7-14)10-19(25)27-13-16-12-26-17(20(21,22)23)8-5-9-18(26)24-16;1-12-8-10(7-11(12)13)9-5-3-2-4-6-9;10-4-6-5-15-7(9(11,12)13)2-1-3-8(15)14-6;1-5-3-2-4-6(7)8-5/h2-9,11-12,19H,10,13H2,1H3;2-6,8H,7H2,1H3;1-3,5H,4H2;2-4H,1H3,(H2,7,8)
InChIKeyAMHQWIWZZWUOMX-UHFFFAOYSA-N
MW921.48 g/mol
LogP12.04
Rot. Bonds6

About 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

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 (PubChem CID 157160435) has the molecular formula C46H43ClF6N8S2 and a molecular weight of 921.48 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID157160435
Molecular FormulaC46H43ClF6N8S2
Molecular Weight921.48 g/mol
Exact Mass920.26
IUPAC Name2-(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
SMILESCN1C=C(c2ccccc2)CC1=S.CN1C=C(c2ccccc2)CC1SCc1cn2c(C(F)(F)F)cccc2n1.Cc1cccc(N)n1.FC(F)(F)c1cccc2nc(CCl)cn12
InChIInChI=1S/C20H18F3N3S.C11H11NS.C9H6ClF3N2.C6H8N2/c1-25-11-15(14-6-3-2-4-7-14)10-19(25)27-13-16-12-26-17(20(21,22)23)8-5-9-18(26)24-16;1-12-8-10(7-11(12)13)9-5-3-2-4-6-9;10-4-6-5-15-7(9(11,12)13)2-1-3-8(15)14-6;1-5-3-2-4-6(7)8-5/h2-9,11-12,19H,10,13H2,1H3;2-6,8H,7H2,1H3;1-3,5H,4H2;2-4H,1H3,(H2,7,8)
InChIKeyAMHQWIWZZWUOMX-UHFFFAOYSA-N
XLogP12.04
TPSA79.99 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500921.48
LogP ≤ 512.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[6-[1-(3-chloropropylsulfanyl)-3,6-dihydro-2H-pyridin-4-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
CID 130283378
N-[6-[1-(3-chloropropylsulfanyl)piperidin-4-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
CID 130283381
6-N-(3-chloropropylsulfanyl)-2-ethyl-3-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-N-methylimidazo[1,2-a]pyridine-3,6-diamine
CID 130283411
2-(Chloromethyl)-3-[2-[3-(trifluoromethyl)phenyl]ethynyl]imidazo[1,2-a]pyridine;2-(pyridin-2-ylsulfanylmethyl)-3-[2-[3-(trifluoromethyl)phenyl]ethynyl]imidazo[1,2-a]pyridine
CID 157199016
2-(chloromethyl)-5-(trifluoromethyl)imidazo[1,2-a]pyridine;3-methyl-5-phenyl-1H-imidazole-2-thione;2-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]-5-(trifluoromethyl)imidazo[1,2-a]pyridine;6-(trifluoromethyl)pyridin-2-amine
CID 157248924
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
2-(3-Fluorophenyl)-3-(2-methylsulfanylpyrimidin-4-yl)imidazo[1,2-a]pyrimidin-7-amine;3-(2-methylsulfanylpyrimidin-4-yl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrimidin-7-amine
CID 158432380
2-(chloromethyl)-5-(trifluoromethyl)imidazo[1,2-a]pyridine;2-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]-5-(trifluoromethyl)imidazo[1,2-a]pyridine;1-methyl-4-phenyl-3H-pyrrole-2-thione;6-methylpyridin-2-amine
CID 160665164
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
N-[6-[1-(3-chloropropylsulfanyl)-3,6-dihydro-2H-pyridin-4-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine;ethane
CID 144700798
2-(2,4-Difluorophenyl)-8-ethylimidazo[1,2-a]pyrazine;2-(2,4-difluorophenyl)-8-ethyl-3-(2-methylsulfanylpyrimidin-4-yl)imidazo[1,2-a]pyrazine
CID 157109822
2-(Chloromethyl)-1-methyl-4-phenylimidazole;1-imidazol-1-yl-2-(2-imino-1-pyridinyl)ethanethione;methane;2-[(1-methyl-4-phenylimidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 157168056

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN1C=C(c2ccccc2)CC1=S.CN1C=C(c2ccccc2)CC1SCc1cn2c(C(F)(F)F)cccc2n1.Cc1cccc(N)n1.FC(F)(F)c1cccc2nc(CCl)cn12.
What is the InChIKey of 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?
The InChIKey is AMHQWIWZZWUOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3S.C11H11NS.C9H6ClF3N2.C6H8N2/c1-25-11-15(14-6-3-2-4-7-14)10-19(25)27-13-16-12-26-17(20(21,22)23)8-5-9-18(26)24-16;1-12-8-10(7-11(12)13)9-5-3-2-4-6-9;10-4-6-5-15-7(9(11,12)13)2-1-3-8(15)14-6;1-5-3-2-4-6(7)8-5/h2-9,11-12,19H,10,13H2,1H3;2-6,8H,7H2,1H3;1-3,5H,4H2;2-4H,1H3,(H2,7,8).
What are the key properties of 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?
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 has a molecular weight of 921.48 g/mol, XLogP of 12.04, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157160435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).