2-chloro-3-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine;2-[(4-chloro-1H-pyrazol-5-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(5-chloropyrazol-1-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(3-cyclohexylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-4-(1,1-difluoroethyl)-1H-pyrimidin-6-one;3-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-methylimidazo[1,2-a]pyridine;2-[(2-ethylpyrazol-3-yl)methylsulfanyl]-4,6-dimethylpyrimidine

C89H98Cl5F2N27OS7 — CID 161455329

IUPAC2-chloro-3-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine;2-[(4-chloro-1H-pyrazol-5-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(5-chloropyrazol-1-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(3-cyclohexylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-4-(1,1-difluoroethyl)-1H-pyrimidin-6-one;3-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-methylimidazo[1,2-a]pyridine;2-[(2-ethylpyrazol-3-yl)methylsulfanyl]-4,6-dimethylpyrimidine
SMILESCC(F)(F)c1cc(=O)[nH]c(SCc2c(Cl)cncc2Cl)n1.CCn1nccc1CSc1nc(C)cc(C)n1.Cc1cc(C)nc(SCc2[nH]ncc2Cl)n1.Cc1cc(C)nc(SCc2c(C)nc3ccccn23)n1.Cc1cc(C)nc(SCc2c(Cl)nc3ccccn23)n1.Cc1cc(C)nc(SCc2cncn2C2CCCCC2)n1.Cc1cc(C)nc(SCn2nccc2Cl)n1
InChIInChI=1S/C16H22N4S.C15H16N4S.C14H13ClN4S.C12H9Cl2F2N3OS.C12H16N4S.2C10H11ClN4S/c1-12-8-13(2)19-16(18-12)21-10-15-9-17-11-20(15)14-6-4-3-5-7-14;1-10-8-11(2)17-15(16-10)20-9-13-12(3)18-14-6-4-5-7-19(13)14;1-9-7-10(2)17-14(16-9)20-8-11-13(15)18-12-5-3-4-6-19(11)12;1-12(15,16)9-2-10(20)19-11(18-9)21-5-6-7(13)3-17-4-8(6)14;1-4-16-11(5-6-13-16)8-17-12-14-9(2)7-10(3)15-12;1-6-3-7(2)14-10(13-6)16-5-9-8(11)4-12-15-9;1-7-5-8(2)14-10(13-7)16-6-15-9(11)3-4-12-15/h8-9,11,14H,3-7,10H2,1-2H3;4-8H,9H2,1-3H3;3-7H,8H2,1-2H3;2-4H,5H2,1H3,(H,18,19,20);5-7H,4,8H2,1-3H3;3-4H,5H2,1-2H3,(H,12,15);3-5H,6H2,1-2H3
InChIKeyWBBQTLSOXMCYOZ-UHFFFAOYSA-N
MW2001.68 g/mol
LogP23.05
Rot. Bonds24

About 2-chloro-3-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine;2-[(4-chloro-1H-pyrazol-5-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(5-chloropyrazol-1-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(3-cyclohexylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-4-(1,1-difluoroethyl)-1H-pyrimidin-6-one;3-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-methylimidazo[1,2-a]pyridine;2-[(2-ethylpyrazol-3-yl)methylsulfanyl]-4,6-dimethylpyrimidine

2-chloro-3-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine;2-[(4-chloro-1H-pyrazol-5-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(5-chloropyrazol-1-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(3-cyclohexylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-4-(1,1-difluoroethyl)-1H-pyrimidin-6-one;3-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-methylimidazo[1,2-a]pyridine;2-[(2-ethylpyrazol-3-yl)methylsulfanyl]-4,6-dimethylpyrimidine (PubChem CID 161455329) has the molecular formula C89H98Cl5F2N27OS7 and a molecular weight of 2001.68 g/mol. Its IUPAC name is 2-chloro-3-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine;2-[(4-chloro-1H-pyrazol-5-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(5-chloropyrazol-1-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(3-cyclohexylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-4-(1,1-difluoroethyl)-1H-pyrimidin-6-one;3-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-methylimidazo[1,2-a]pyridine;2-[(2-ethylpyrazol-3-yl)methylsulfanyl]-4,6-dimethylpyrimidine.

Molecular Properties

Compound Name2-chloro-3-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine;2-[(4-chloro-1H-pyrazol-5-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(5-chloropyrazol-1-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(3-cyclohexylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-4-(1,1-difluoroethyl)-1H-pyrimidin-6-one;3-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-methylimidazo[1,2-a]pyridine;2-[(2-ethylpyrazol-3-yl)methylsulfanyl]-4,6-dimethylpyrimidine
PubChem CID161455329
Molecular FormulaC89H98Cl5F2N27OS7
Molecular Weight2001.68 g/mol
Exact Mass1997.49
IUPAC Name2-chloro-3-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine;2-[(4-chloro-1H-pyrazol-5-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(5-chloropyrazol-1-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(3-cyclohexylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-4-(1,1-difluoroethyl)-1H-pyrimidin-6-one;3-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-methylimidazo[1,2-a]pyridine;2-[(2-ethylpyrazol-3-yl)methylsulfanyl]-4,6-dimethylpyrimidine
SMILESCC(F)(F)c1cc(=O)[nH]c(SCc2c(Cl)cncc2Cl)n1.CCn1nccc1CSc1nc(C)cc(C)n1.Cc1cc(C)nc(SCc2[nH]ncc2Cl)n1.Cc1cc(C)nc(SCc2c(C)nc3ccccn23)n1.Cc1cc(C)nc(SCc2c(Cl)nc3ccccn23)n1.Cc1cc(C)nc(SCc2cncn2C2CCCCC2)n1.Cc1cc(C)nc(SCn2nccc2Cl)n1
InChIInChI=1S/C16H22N4S.C15H16N4S.C14H13ClN4S.C12H9Cl2F2N3OS.C12H16N4S.2C10H11ClN4S/c1-12-8-13(2)19-16(18-12)21-10-15-9-17-11-20(15)14-6-4-3-5-7-14;1-10-8-11(2)17-15(16-10)20-9-13-12(3)18-14-6-4-5-7-19(13)14;1-9-7-10(2)17-14(16-9)20-8-11-13(15)18-12-5-3-4-6-19(11)12;1-12(15,16)9-2-10(20)19-11(18-9)21-5-6-7(13)3-17-4-8(6)14;1-4-16-11(5-6-13-16)8-17-12-14-9(2)7-10(3)15-12;1-6-3-7(2)14-10(13-6)16-5-9-8(11)4-12-15-9;1-7-5-8(2)14-10(13-7)16-6-15-9(11)3-4-12-15/h8-9,11,14H,3-7,10H2,1-2H3;4-8H,9H2,1-3H3;3-7H,8H2,1-2H3;2-4H,5H2,1H3,(H,18,19,20);5-7H,4,8H2,1-3H3;3-4H,5H2,1-2H3,(H,12,15);3-5H,6H2,1-2H3
InChIKeyWBBQTLSOXMCYOZ-UHFFFAOYSA-N
XLogP23.05
TPSA330.06 Ų
H-Bond Donors2
H-Bond Acceptors33
Rotatable Bonds24
Heavy Atoms131
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002001.68
LogP ≤ 523.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1033

Analyze 2-chloro-3-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine;2-[(4-chloro-1H-pyrazol-5-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(5-chloropyrazol-1-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(3-cyclohexylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-4-(1,1-difluoroethyl)-1H-pyrimidin-6-one;3-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-methylimidazo[1,2-a]pyridine;2-[(2-ethylpyrazol-3-yl)methylsulfanyl]-4,6-dimethylpyrimidine with MolForge

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Related Compounds

6-chloro-7-fluoro-3-[4-[3-(1H-imidazol-5-yl)-2,5-dimethylpiperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine;N-[[(3S,5S)-1-[4-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide;3-[4-[(2R,3S,5R)-2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[3-methyl-5-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 157341138
bis([1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2,5-dimethylpiperidin-3-yl]methyl-imino-methyl-oxo-lambda6-sulfane);2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine;2-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;7-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 158535602
2-chloro-3-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine;2-[(2-chloro-3-methylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(4-chloro-1H-pyrazol-5-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(2-cyclohexylpyrazol-3-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-4-(1,1-difluoroethyl)-1H-pyrimidin-6-one;3-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-methylimidazo[1,2-a]pyridine;2-[(2-ethylpyrazol-3-yl)methylsulfanyl]-4,6-dimethylpyrimidine
CID 158656711
6-chloro-3-[4-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine;3-[2-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(2S,3R,5S)-2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 159313045
2-chloro-3-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine;2-[(5-chloro-3-ethylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(2-chloro-3-methylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(4-chloro-1H-pyrazol-5-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(2,5-dichloro-3-ethylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(2,5-dichloro-3-propan-2-ylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-4-(1,1-difluoroethyl)-1H-pyrimidin-6-one;3-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-methylimidazo[1,2-a]pyridine;2-[(2-ethylpyrazol-3-yl)methylsulfanyl]-4,6-dimethylpyrimidine
CID 160155184
6-chloro-3-[4-[3-dimethylphosphoryl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine;[1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-3-yl]imino-dimethyl-oxo-lambda6-sulfane;6-chloro-3-[4-[3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine;dimethyl-[5-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]imino-oxo-lambda6-sulfane
CID 160325568
bis(6-chloro-3-[4-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine);bis(3-[2-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine);3-[4-[(2S,3R,5S)-2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 161133495
4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-3-methylpiperazine-2-carboxamide;3-[4-[4-[(3,4-difluorophenyl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-(2-methylsulfonyl-2,8-diazaspiro[3.5]nonan-8-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[3-(1H-pyrazol-4-yl)-4-(3,3,3-trifluoropropyl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 161267256
6-chloro-3-[4-[3-dimethylphosphoryl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine;[1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-3-yl]imino-dimethyl-oxo-lambda6-sulfane;6-chloro-3-[4-[3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine;bis(dimethyl-[5-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]imino-oxo-lambda6-sulfane)
CID 161891604
6-chloro-7-fluoro-3-[4-[3-(1H-imidazol-5-yl)-2,5-dimethylpiperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine;N-[[(3S,5S)-1-[4-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide;3-[4-[(2R,3S,5R)-2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;bis(3-[4-[3-methyl-5-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine)
CID 162126242
7-(1,2,3,3a,4,6,7,7a-Octahydropyrrolo[3,2-c]pyridin-5-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-ethylpiperidin-4-yl)pyrimido[1,2-b]pyridazin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-methylpiperidin-4-yl)pyrimido[1,2-b]pyridazin-4-one
CID 157557339
7-(1,2,3,3a,4,6,7,7a-Octahydropyrrolo[3,2-c]pyridin-5-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrimido[1,2-b]pyridazin-4-one;2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(1-ethylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-ethylpiperidin-4-yl)pyrimido[1,2-b]pyridazin-4-one
CID 159358845

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine;2-[(4-chloro-1H-pyrazol-5-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(5-chloropyrazol-1-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(3-cyclohexylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-4-(1,1-difluoroethyl)-1H-pyrimidin-6-one;3-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-methylimidazo[1,2-a]pyridine;2-[(2-ethylpyrazol-3-yl)methylsulfanyl]-4,6-dimethylpyrimidine?
The IUPAC name of 2-chloro-3-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine;2-[(4-chloro-1H-pyrazol-5-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(5-chloropyrazol-1-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(3-cyclohexylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-4-(1,1-difluoroethyl)-1H-pyrimidin-6-one;3-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-methylimidazo[1,2-a]pyridine;2-[(2-ethylpyrazol-3-yl)methylsulfanyl]-4,6-dimethylpyrimidine (CID 161455329) is 2-chloro-3-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine;2-[(4-chloro-1H-pyrazol-5-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(5-chloropyrazol-1-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(3-cyclohexylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-4-(1,1-difluoroethyl)-1H-pyrimidin-6-one;3-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-methylimidazo[1,2-a]pyridine;2-[(2-ethylpyrazol-3-yl)methylsulfanyl]-4,6-dimethylpyrimidine.
What is the SMILES notation for 2-chloro-3-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine;2-[(4-chloro-1H-pyrazol-5-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(5-chloropyrazol-1-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(3-cyclohexylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-4-(1,1-difluoroethyl)-1H-pyrimidin-6-one;3-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-methylimidazo[1,2-a]pyridine;2-[(2-ethylpyrazol-3-yl)methylsulfanyl]-4,6-dimethylpyrimidine?
The canonical SMILES for 2-chloro-3-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine;2-[(4-chloro-1H-pyrazol-5-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(5-chloropyrazol-1-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(3-cyclohexylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-4-(1,1-difluoroethyl)-1H-pyrimidin-6-one;3-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-methylimidazo[1,2-a]pyridine;2-[(2-ethylpyrazol-3-yl)methylsulfanyl]-4,6-dimethylpyrimidine is CC(F)(F)c1cc(=O)[nH]c(SCc2c(Cl)cncc2Cl)n1.CCn1nccc1CSc1nc(C)cc(C)n1.Cc1cc(C)nc(SCc2[nH]ncc2Cl)n1.Cc1cc(C)nc(SCc2c(C)nc3ccccn23)n1.Cc1cc(C)nc(SCc2c(Cl)nc3ccccn23)n1.Cc1cc(C)nc(SCc2cncn2C2CCCCC2)n1.Cc1cc(C)nc(SCn2nccc2Cl)n1.
What is the InChIKey of 2-chloro-3-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine;2-[(4-chloro-1H-pyrazol-5-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(5-chloropyrazol-1-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(3-cyclohexylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-4-(1,1-difluoroethyl)-1H-pyrimidin-6-one;3-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-methylimidazo[1,2-a]pyridine;2-[(2-ethylpyrazol-3-yl)methylsulfanyl]-4,6-dimethylpyrimidine?
The InChIKey is WBBQTLSOXMCYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4S.C15H16N4S.C14H13ClN4S.C12H9Cl2F2N3OS.C12H16N4S.2C10H11ClN4S/c1-12-8-13(2)19-16(18-12)21-10-15-9-17-11-20(15)14-6-4-3-5-7-14;1-10-8-11(2)17-15(16-10)20-9-13-12(3)18-14-6-4-5-7-19(13)14;1-9-7-10(2)17-14(16-9)20-8-11-13(15)18-12-5-3-4-6-19(11)12;1-12(15,16)9-2-10(20)19-11(18-9)21-5-6-7(13)3-17-4-8(6)14;1-4-16-11(5-6-13-16)8-17-12-14-9(2)7-10(3)15-12;1-6-3-7(2)14-10(13-6)16-5-9-8(11)4-12-15-9;1-7-5-8(2)14-10(13-7)16-6-15-9(11)3-4-12-15/h8-9,11,14H,3-7,10H2,1-2H3;4-8H,9H2,1-3H3;3-7H,8H2,1-2H3;2-4H,5H2,1H3,(H,18,19,20);5-7H,4,8H2,1-3H3;3-4H,5H2,1-2H3,(H,12,15);3-5H,6H2,1-2H3.
What are the key properties of 2-chloro-3-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine;2-[(4-chloro-1H-pyrazol-5-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(5-chloropyrazol-1-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(3-cyclohexylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-4-(1,1-difluoroethyl)-1H-pyrimidin-6-one;3-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-methylimidazo[1,2-a]pyridine;2-[(2-ethylpyrazol-3-yl)methylsulfanyl]-4,6-dimethylpyrimidine?
2-chloro-3-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine;2-[(4-chloro-1H-pyrazol-5-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(5-chloropyrazol-1-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(3-cyclohexylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-4-(1,1-difluoroethyl)-1H-pyrimidin-6-one;3-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-methylimidazo[1,2-a]pyridine;2-[(2-ethylpyrazol-3-yl)methylsulfanyl]-4,6-dimethylpyrimidine has a molecular weight of 2001.68 g/mol, XLogP of 23.05, 24 rotatable bonds, 2 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine;2-[(4-chloro-1H-pyrazol-5-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(5-chloropyrazol-1-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(3-cyclohexylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-4-(1,1-difluoroethyl)-1H-pyrimidin-6-one;3-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-methylimidazo[1,2-a]pyridine;2-[(2-ethylpyrazol-3-yl)methylsulfanyl]-4,6-dimethylpyrimidine is sourced from PubChem (CID 161455329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).