N-(furan-2-ylmethyl)-2-(4-methylsulfonylphenyl)pyridin-4-amine;N-(furan-3-ylmethyl)-2-(4-methylsulfonylphenyl)pyridin-4-amine;N-(furan-3-ylmethyl)-6-(4-methylsulfonylphenyl)pyrimidin-4-amine;N-methyl-N-(2-methylpropyl)-6-(4-methylsulfonylphenyl)pyrazin-2-amine;3-(4-methylsulfonylphenyl)-5-(thiophen-2-ylmethoxy)pyridazine;3-(4-methylsulfonylphenyl)-5-(thiophen-2-ylmethoxy)pyridine;6-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)pyrazolo[4,5-b]pyridine;5-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridazin-3-amine

C133H127N19O21S12 — CID 167548962

IUPACN-(furan-2-ylmethyl)-2-(4-methylsulfonylphenyl)pyridin-4-amine;N-(furan-3-ylmethyl)-2-(4-methylsulfonylphenyl)pyridin-4-amine;N-(furan-3-ylmethyl)-6-(4-methylsulfonylphenyl)pyrimidin-4-amine;N-methyl-N-(2-methylpropyl)-6-(4-methylsulfonylphenyl)pyrazin-2-amine;3-(4-methylsulfonylphenyl)-5-(thiophen-2-ylmethoxy)pyridazine;3-(4-methylsulfonylphenyl)-5-(thiophen-2-ylmethoxy)pyridine;6-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)pyrazolo[4,5-b]pyridine;5-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridazin-3-amine
SMILESCC(C)CN(C)c1cncc(-c2ccc(S(C)(=O)=O)cc2)n1.CS(=O)(=O)c1ccc(-c2cc(NCc3ccco3)ccn2)cc1.CS(=O)(=O)c1ccc(-c2cc(NCc3ccoc3)ccn2)cc1.CS(=O)(=O)c1ccc(-c2cc(NCc3ccoc3)ncn2)cc1.CS(=O)(=O)c1ccc(-c2cc(OCc3cccs3)cnn2)cc1.CS(=O)(=O)c1ccc(-c2cnc3cnn(Cc4cccs4)c3c2)cc1.CS(=O)(=O)c1ccc(-c2cncc(OCc3cccs3)c2)cc1.CS(=O)(=O)c1ccc(-c2cnnc(NCc3cccs3)c2)cc1
InChIInChI=1S/C18H15N3O2S2.2C17H16N2O3S.C17H15NO3S2.C16H15N3O3S.C16H15N3O2S2.C16H21N3O2S.C16H14N2O3S2/c1-25(22,23)16-6-4-13(5-7-16)14-9-18-17(19-10-14)11-20-21(18)12-15-3-2-8-24-15;1-23(20,21)16-4-2-14(3-5-16)17-10-15(6-8-18-17)19-11-13-7-9-22-12-13;1-23(20,21)16-6-4-13(5-7-16)17-11-14(8-9-18-17)19-12-15-3-2-10-22-15;1-23(19,20)17-6-4-13(5-7-17)14-9-15(11-18-10-14)21-12-16-3-2-8-22-16;1-23(20,21)14-4-2-13(3-5-14)15-8-16(19-11-18-15)17-9-12-6-7-22-10-12;1-23(20,21)15-6-4-12(5-7-15)13-9-16(19-18-10-13)17-11-14-3-2-8-22-14;1-12(2)11-19(3)16-10-17-9-15(18-16)13-5-7-14(8-6-13)22(4,20)21;1-23(19,20)15-6-4-12(5-7-15)16-9-13(10-17-18-16)21-11-14-3-2-8-22-14/h2-11H,12H2,1H3;2-10,12H,11H2,1H3,(H,18,19);2-11H,12H2,1H3,(H,18,19);2-11H,12H2,1H3;2-8,10-11H,9H2,1H3,(H,17,18,19);2-10H,11H2,1H3,(H,17,19);5-10,12H,11H2,1-4H3;2-10H,11H2,1H3
InChIKeyCDYADXOLUDLDJV-UHFFFAOYSA-N
MW2712.39 g/mol
LogP25.92
Rot. Bonds39

About N-(furan-2-ylmethyl)-2-(4-methylsulfonylphenyl)pyridin-4-amine;N-(furan-3-ylmethyl)-2-(4-methylsulfonylphenyl)pyridin-4-amine;N-(furan-3-ylmethyl)-6-(4-methylsulfonylphenyl)pyrimidin-4-amine;N-methyl-N-(2-methylpropyl)-6-(4-methylsulfonylphenyl)pyrazin-2-amine;3-(4-methylsulfonylphenyl)-5-(thiophen-2-ylmethoxy)pyridazine;3-(4-methylsulfonylphenyl)-5-(thiophen-2-ylmethoxy)pyridine;6-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)pyrazolo[4,5-b]pyridine;5-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridazin-3-amine

N-(furan-2-ylmethyl)-2-(4-methylsulfonylphenyl)pyridin-4-amine;N-(furan-3-ylmethyl)-2-(4-methylsulfonylphenyl)pyridin-4-amine;N-(furan-3-ylmethyl)-6-(4-methylsulfonylphenyl)pyrimidin-4-amine;N-methyl-N-(2-methylpropyl)-6-(4-methylsulfonylphenyl)pyrazin-2-amine;3-(4-methylsulfonylphenyl)-5-(thiophen-2-ylmethoxy)pyridazine;3-(4-methylsulfonylphenyl)-5-(thiophen-2-ylmethoxy)pyridine;6-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)pyrazolo[4,5-b]pyridine;5-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridazin-3-amine (PubChem CID 167548962) has the molecular formula C133H127N19O21S12 and a molecular weight of 2712.39 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(4-methylsulfonylphenyl)pyridin-4-amine;N-(furan-3-ylmethyl)-2-(4-methylsulfonylphenyl)pyridin-4-amine;N-(furan-3-ylmethyl)-6-(4-methylsulfonylphenyl)pyrimidin-4-amine;N-methyl-N-(2-methylpropyl)-6-(4-methylsulfonylphenyl)pyrazin-2-amine;3-(4-methylsulfonylphenyl)-5-(thiophen-2-ylmethoxy)pyridazine;3-(4-methylsulfonylphenyl)-5-(thiophen-2-ylmethoxy)pyridine;6-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)pyrazolo[4,5-b]pyridine;5-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridazin-3-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(4-methylsulfonylphenyl)pyridin-4-amine;N-(furan-3-ylmethyl)-2-(4-methylsulfonylphenyl)pyridin-4-amine;N-(furan-3-ylmethyl)-6-(4-methylsulfonylphenyl)pyrimidin-4-amine;N-methyl-N-(2-methylpropyl)-6-(4-methylsulfonylphenyl)pyrazin-2-amine;3-(4-methylsulfonylphenyl)-5-(thiophen-2-ylmethoxy)pyridazine;3-(4-methylsulfonylphenyl)-5-(thiophen-2-ylmethoxy)pyridine;6-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)pyrazolo[4,5-b]pyridine;5-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridazin-3-amine
PubChem CID167548962
Molecular FormulaC133H127N19O21S12
Molecular Weight2712.39 g/mol
Exact Mass2709.61
IUPAC NameN-(furan-2-ylmethyl)-2-(4-methylsulfonylphenyl)pyridin-4-amine;N-(furan-3-ylmethyl)-2-(4-methylsulfonylphenyl)pyridin-4-amine;N-(furan-3-ylmethyl)-6-(4-methylsulfonylphenyl)pyrimidin-4-amine;N-methyl-N-(2-methylpropyl)-6-(4-methylsulfonylphenyl)pyrazin-2-amine;3-(4-methylsulfonylphenyl)-5-(thiophen-2-ylmethoxy)pyridazine;3-(4-methylsulfonylphenyl)-5-(thiophen-2-ylmethoxy)pyridine;6-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)pyrazolo[4,5-b]pyridine;5-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridazin-3-amine
SMILESCC(C)CN(C)c1cncc(-c2ccc(S(C)(=O)=O)cc2)n1.CS(=O)(=O)c1ccc(-c2cc(NCc3ccco3)ccn2)cc1.CS(=O)(=O)c1ccc(-c2cc(NCc3ccoc3)ccn2)cc1.CS(=O)(=O)c1ccc(-c2cc(NCc3ccoc3)ncn2)cc1.CS(=O)(=O)c1ccc(-c2cc(OCc3cccs3)cnn2)cc1.CS(=O)(=O)c1ccc(-c2cnc3cnn(Cc4cccs4)c3c2)cc1.CS(=O)(=O)c1ccc(-c2cncc(OCc3cccs3)c2)cc1.CS(=O)(=O)c1ccc(-c2cnnc(NCc3cccs3)c2)cc1
InChIInChI=1S/C18H15N3O2S2.2C17H16N2O3S.C17H15NO3S2.C16H15N3O3S.C16H15N3O2S2.C16H21N3O2S.C16H14N2O3S2/c1-25(22,23)16-6-4-13(5-7-16)14-9-18-17(19-10-14)11-20-21(18)12-15-3-2-8-24-15;1-23(20,21)16-4-2-14(3-5-16)17-10-15(6-8-18-17)19-11-13-7-9-22-12-13;1-23(20,21)16-6-4-13(5-7-16)17-11-14(8-9-18-17)19-12-15-3-2-10-22-15;1-23(19,20)17-6-4-13(5-7-17)14-9-15(11-18-10-14)21-12-16-3-2-8-22-16;1-23(20,21)14-4-2-13(3-5-14)15-8-16(19-11-18-15)17-9-12-6-7-22-10-12;1-23(20,21)15-6-4-12(5-7-15)13-9-16(19-18-10-13)17-11-14-3-2-8-22-14;1-12(2)11-19(3)16-10-17-9-15(18-16)13-5-7-14(8-6-13)22(4,20)21;1-23(19,20)15-6-4-12(5-7-15)16-9-13(10-17-18-16)21-11-14-3-2-8-22-14/h2-11H,12H2,1H3;2-10,12H,11H2,1H3,(H,18,19);2-11H,12H2,1H3,(H,18,19);2-11H,12H2,1H3;2-8,10-11H,9H2,1H3,(H,17,18,19);2-10H,11H2,1H3,(H,17,19);5-10,12H,11H2,1-4H3;2-10H,11H2,1H3
InChIKeyCDYADXOLUDLDJV-UHFFFAOYSA-N
XLogP25.92
TPSA554.86 Ų
H-Bond Donors4
H-Bond Acceptors44
Rotatable Bonds39
Heavy Atoms185
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002712.39
LogP ≤ 525.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1044

Analyze N-(furan-2-ylmethyl)-2-(4-methylsulfonylphenyl)pyridin-4-amine;N-(furan-3-ylmethyl)-2-(4-methylsulfonylphenyl)pyridin-4-amine;N-(furan-3-ylmethyl)-6-(4-methylsulfonylphenyl)pyrimidin-4-amine;N-methyl-N-(2-methylpropyl)-6-(4-methylsulfonylphenyl)pyrazin-2-amine;3-(4-methylsulfonylphenyl)-5-(thiophen-2-ylmethoxy)pyridazine;3-(4-methylsulfonylphenyl)-5-(thiophen-2-ylmethoxy)pyridine;6-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)pyrazolo[4,5-b]pyridine;5-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridazin-3-amine with MolForge

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Related Compounds

N-(furan-2-ylmethyl)-5-methoxy-6-(4-methylsulfonylphenyl)pyridin-2-amine;3-methyl-6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrazin-2-amine;6-(4-methylsulfonylphenyl)-N-(1,2-oxazol-3-ylmethyl)pyridin-2-amine;2-[[6-(4-methylsulfonylphenyl)pyrazin-2-yl]oxymethyl]-1,3-thiazole;3-[[6-(4-methylsulfonylphenyl)pyrazin-2-yl]sulfanylmethyl]-1,2-oxazole;6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)pyrazin-2-amine
CID 167601427
CID 157053806
CID 157053806
CID 157179881
CID 157179881
methane;2-methyl-9-propan-2-ylpurin-6-amine;2-methyl-9-propan-2-yl-1H-purin-6-one;7-propan-2-yl-5H-cyclopenta[b]pyridin-4-amine;3-propan-2-ylfuro[3,2-b]pyridin-7-amine;3-propan-2-ylimidazo[1,2-b]pyridazin-8-amine;9-propan-2-ylpurin-6-amine;7-propan-2-ylpyrrolo[1,2-b]pyridazin-4-amine;7-propan-2-yl-5H-pyrrolo[3,4-b]pyridin-4-amine;7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;7-propan-2-yl-6H-pyrrolo[3,4-d]pyrimidin-4-amine;3-propan-2-ylthieno[3,2-b]pyridin-7-amine;7-propan-2-ylthieno[3,4-b]pyridin-4-amine
CID 157201546
CID 157369084
CID 157369084
2-methylfuro[2,3-c]pyridin-7-amine;2-methylfuro[3,2-c]pyridin-4-amine;3-methylfuro[2,3-c]pyridin-7-amine;3-methylfuro[3,2-c]pyridin-4-amine;bis(2-methyl-1H-imidazo[4,5-c]pyridin-4-amine);3-methylimidazo[4,5-c]pyridin-4-amine;5-methyl-1H-pyrazolo[4,5-b]pyridine;5-methyl-1H-pyrrolo[3,2-b]pyridine;2-methyl-1H-pyrrolo[2,3-c]pyridin-7-amine;2-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine;3-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine;2-methyl-1H-pyrrolo[2,3-c]pyridine;2-methyl-1H-pyrrolo[3,2-c]pyridine;3-methyl-1H-pyrrolo[2,3-c]pyridine;3-methyl-1H-pyrrolo[3,2-c]pyridine;2-methylthieno[2,3-c]pyridin-7-amine;2-methylthieno[3,2-c]pyridin-4-amine;3-methylthieno[2,3-c]pyridin-7-amine;3-methylthieno[3,2-c]pyridin-4-amine
CID 157486329
3-(furan-2-yl)-N-(2-methoxy-5-phenylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;3-(furan-3-yl)-N-(2-methoxy-5-phenylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-methoxy-5-phenylphenyl)-N-methyl-3-thiophen-3-yl-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-methoxy-5-phenylphenyl)-3-(1H-pyrrol-2-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-methoxy-5-phenylphenyl)-3-thiophen-2-yl-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 157554412
bis(furo[3,2-b]pyridine);bis(furo[3,2-c]pyridine);1-hydroxypyridin-1-ium;methane;pyrazine;pyridazine;pyridine;pyrimidine;bis(1H-pyrrolo[3,2-b]pyridine);bis(1H-pyrrolo[3,2-c]pyridine);quinoline;bis(thieno[3,2-b]pyridine);bis(thieno[3,2-b]pyridine 1,1-dioxide);bis(thieno[3,2-b]pyridine 1-oxide);bis(thieno[3,2-c]pyridine);bis(thieno[3,2-c]pyridine 1,1-dioxide);bis(thieno[3,2-c]pyridine 1-oxide)
CID 157566574
10,12-difluoro-5-methoxy-8,8-dioxo-8lambda6-thia-4,7,15,24,25,28-hexazahexacyclo[20.5.2.12,6.19,13.117,21.025,29]dotriaconta-1(28),2(32),3,5,9,11,13(31),17(30),18,20,22(29),23,26-tridecaen-14-one;24-methoxy-21,21-dioxo-3,21lambda6-dithia-6,8,10,14,22,25-hexazapentacyclo[21.3.1.12,5.116,20.04,9]nonacosa-1(27),2(29),4,6,8,16(28),17,19,23,25-decaen-15-one;(14R)-26-methoxy-23,23-dioxo-13-oxa-3,23lambda6-dithia-6,8,10,16,24,27-hexazahexacyclo[23.3.1.12,5.110,14.118,22.04,9]dotriaconta-1(29),2(32),4,6,8,18(30),19,21,25,27-decaen-17-one;25-methoxy-22,22-dioxo-30-oxa-3,22lambda6-dithia-6,8,23,26-tetrazahexacyclo[22.3.1.12,5.110,13.117,21.04,9]hentriaconta-1(28),2(31),4,6,8,10,12,17(29),18,20,24,26-dodecaen-16-one;25-methoxy-31-methyl-22,22-dioxo-3,22lambda6,30-trithia-6,8,23,26-tetrazahexacyclo[22.3.1.12,5.110,13.117,21.04,9]hentriaconta-1(28),2(31),4,6,8,10,12,17(29),18,20,24,26-dodecaen-16-one
CID 157569975
2-methylfuro[2,3-c]pyridin-7-amine;2-methylfuro[3,2-c]pyridin-4-amine;3-methylfuro[3,2-c]pyridin-4-amine;bis(2-methyl-1H-imidazo[4,5-c]pyridin-4-amine);3-methylimidazo[4,5-c]pyridin-4-amine;5-methyl-1H-pyrazolo[4,5-b]pyridine;5-methyl-1H-pyrrolo[3,2-b]pyridine;2-methyl-1H-pyrrolo[2,3-c]pyridin-7-amine;2-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine;3-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine;2-methyl-1H-pyrrolo[3,2-c]pyridine;3-methyl-1H-pyrrolo[3,2-c]pyridine;2-methylthieno[2,3-c]pyridin-7-amine;2-methylthieno[3,2-c]pyridin-4-amine;3-methylthieno[3,2-c]pyridin-4-amine
CID 157624043
N-[(3R,4R)-1-furo[3,2-d]pyrimidin-4-yl-4-methylpiperidin-3-yl]-N-methylfuro[3,2-d]pyrimidin-4-amine;N-methyl-N-[(3R,4R)-4-methylpiperidin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-amine;N-methyl-N-[(3R,4R)-4-methyl-1-pyrrolo[2,1-f][1,2,4]triazin-4-ylpiperidin-3-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;N-methyl-N-[(3R,4R)-4-methyl-1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-yl]thieno[2,3-d]pyrimidin-4-amine
CID 157758048
2-methylfuro[2,3-c]pyridin-7-amine;2-methylfuro[3,2-c]pyridin-4-amine;3-methylfuro[3,2-c]pyridin-4-amine;2-methyl-1H-imidazo[4,5-c]pyridin-4-amine;3-methylimidazo[4,5-c]pyridin-4-amine;6-methyl-3H-imidazo[4,5-c]pyridine;5-methyl-1H-pyrazolo[4,5-b]pyridine;5-methyl-1H-pyrazolo[5,4-c]pyridine;6-methyl-1H-pyrazolo[4,5-c]pyridine;5-methyl-1H-pyrrolo[3,2-b]pyridine;2-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine;3-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine;5-methyl-1H-pyrrolo[2,3-c]pyridine;2-methylthieno[3,2-c]pyridin-4-amine;3-methylthieno[3,2-c]pyridin-4-amine;6-methyl-2H-triazolo[4,5-c]pyridine
CID 157918526

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(4-methylsulfonylphenyl)pyridin-4-amine;N-(furan-3-ylmethyl)-2-(4-methylsulfonylphenyl)pyridin-4-amine;N-(furan-3-ylmethyl)-6-(4-methylsulfonylphenyl)pyrimidin-4-amine;N-methyl-N-(2-methylpropyl)-6-(4-methylsulfonylphenyl)pyrazin-2-amine;3-(4-methylsulfonylphenyl)-5-(thiophen-2-ylmethoxy)pyridazine;3-(4-methylsulfonylphenyl)-5-(thiophen-2-ylmethoxy)pyridine;6-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)pyrazolo[4,5-b]pyridine;5-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridazin-3-amine?
The IUPAC name of N-(furan-2-ylmethyl)-2-(4-methylsulfonylphenyl)pyridin-4-amine;N-(furan-3-ylmethyl)-2-(4-methylsulfonylphenyl)pyridin-4-amine;N-(furan-3-ylmethyl)-6-(4-methylsulfonylphenyl)pyrimidin-4-amine;N-methyl-N-(2-methylpropyl)-6-(4-methylsulfonylphenyl)pyrazin-2-amine;3-(4-methylsulfonylphenyl)-5-(thiophen-2-ylmethoxy)pyridazine;3-(4-methylsulfonylphenyl)-5-(thiophen-2-ylmethoxy)pyridine;6-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)pyrazolo[4,5-b]pyridine;5-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridazin-3-amine (CID 167548962) is N-(furan-2-ylmethyl)-2-(4-methylsulfonylphenyl)pyridin-4-amine;N-(furan-3-ylmethyl)-2-(4-methylsulfonylphenyl)pyridin-4-amine;N-(furan-3-ylmethyl)-6-(4-methylsulfonylphenyl)pyrimidin-4-amine;N-methyl-N-(2-methylpropyl)-6-(4-methylsulfonylphenyl)pyrazin-2-amine;3-(4-methylsulfonylphenyl)-5-(thiophen-2-ylmethoxy)pyridazine;3-(4-methylsulfonylphenyl)-5-(thiophen-2-ylmethoxy)pyridine;6-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)pyrazolo[4,5-b]pyridine;5-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridazin-3-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(4-methylsulfonylphenyl)pyridin-4-amine;N-(furan-3-ylmethyl)-2-(4-methylsulfonylphenyl)pyridin-4-amine;N-(furan-3-ylmethyl)-6-(4-methylsulfonylphenyl)pyrimidin-4-amine;N-methyl-N-(2-methylpropyl)-6-(4-methylsulfonylphenyl)pyrazin-2-amine;3-(4-methylsulfonylphenyl)-5-(thiophen-2-ylmethoxy)pyridazine;3-(4-methylsulfonylphenyl)-5-(thiophen-2-ylmethoxy)pyridine;6-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)pyrazolo[4,5-b]pyridine;5-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridazin-3-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(4-methylsulfonylphenyl)pyridin-4-amine;N-(furan-3-ylmethyl)-2-(4-methylsulfonylphenyl)pyridin-4-amine;N-(furan-3-ylmethyl)-6-(4-methylsulfonylphenyl)pyrimidin-4-amine;N-methyl-N-(2-methylpropyl)-6-(4-methylsulfonylphenyl)pyrazin-2-amine;3-(4-methylsulfonylphenyl)-5-(thiophen-2-ylmethoxy)pyridazine;3-(4-methylsulfonylphenyl)-5-(thiophen-2-ylmethoxy)pyridine;6-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)pyrazolo[4,5-b]pyridine;5-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridazin-3-amine is CC(C)CN(C)c1cncc(-c2ccc(S(C)(=O)=O)cc2)n1.CS(=O)(=O)c1ccc(-c2cc(NCc3ccco3)ccn2)cc1.CS(=O)(=O)c1ccc(-c2cc(NCc3ccoc3)ccn2)cc1.CS(=O)(=O)c1ccc(-c2cc(NCc3ccoc3)ncn2)cc1.CS(=O)(=O)c1ccc(-c2cc(OCc3cccs3)cnn2)cc1.CS(=O)(=O)c1ccc(-c2cnc3cnn(Cc4cccs4)c3c2)cc1.CS(=O)(=O)c1ccc(-c2cncc(OCc3cccs3)c2)cc1.CS(=O)(=O)c1ccc(-c2cnnc(NCc3cccs3)c2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(4-methylsulfonylphenyl)pyridin-4-amine;N-(furan-3-ylmethyl)-2-(4-methylsulfonylphenyl)pyridin-4-amine;N-(furan-3-ylmethyl)-6-(4-methylsulfonylphenyl)pyrimidin-4-amine;N-methyl-N-(2-methylpropyl)-6-(4-methylsulfonylphenyl)pyrazin-2-amine;3-(4-methylsulfonylphenyl)-5-(thiophen-2-ylmethoxy)pyridazine;3-(4-methylsulfonylphenyl)-5-(thiophen-2-ylmethoxy)pyridine;6-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)pyrazolo[4,5-b]pyridine;5-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridazin-3-amine?
The InChIKey is CDYADXOLUDLDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2S2.2C17H16N2O3S.C17H15NO3S2.C16H15N3O3S.C16H15N3O2S2.C16H21N3O2S.C16H14N2O3S2/c1-25(22,23)16-6-4-13(5-7-16)14-9-18-17(19-10-14)11-20-21(18)12-15-3-2-8-24-15;1-23(20,21)16-4-2-14(3-5-16)17-10-15(6-8-18-17)19-11-13-7-9-22-12-13;1-23(20,21)16-6-4-13(5-7-16)17-11-14(8-9-18-17)19-12-15-3-2-10-22-15;1-23(19,20)17-6-4-13(5-7-17)14-9-15(11-18-10-14)21-12-16-3-2-8-22-16;1-23(20,21)14-4-2-13(3-5-14)15-8-16(19-11-18-15)17-9-12-6-7-22-10-12;1-23(20,21)15-6-4-12(5-7-15)13-9-16(19-18-10-13)17-11-14-3-2-8-22-14;1-12(2)11-19(3)16-10-17-9-15(18-16)13-5-7-14(8-6-13)22(4,20)21;1-23(19,20)15-6-4-12(5-7-15)16-9-13(10-17-18-16)21-11-14-3-2-8-22-14/h2-11H,12H2,1H3;2-10,12H,11H2,1H3,(H,18,19);2-11H,12H2,1H3,(H,18,19);2-11H,12H2,1H3;2-8,10-11H,9H2,1H3,(H,17,18,19);2-10H,11H2,1H3,(H,17,19);5-10,12H,11H2,1-4H3;2-10H,11H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-2-(4-methylsulfonylphenyl)pyridin-4-amine;N-(furan-3-ylmethyl)-2-(4-methylsulfonylphenyl)pyridin-4-amine;N-(furan-3-ylmethyl)-6-(4-methylsulfonylphenyl)pyrimidin-4-amine;N-methyl-N-(2-methylpropyl)-6-(4-methylsulfonylphenyl)pyrazin-2-amine;3-(4-methylsulfonylphenyl)-5-(thiophen-2-ylmethoxy)pyridazine;3-(4-methylsulfonylphenyl)-5-(thiophen-2-ylmethoxy)pyridine;6-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)pyrazolo[4,5-b]pyridine;5-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridazin-3-amine?
N-(furan-2-ylmethyl)-2-(4-methylsulfonylphenyl)pyridin-4-amine;N-(furan-3-ylmethyl)-2-(4-methylsulfonylphenyl)pyridin-4-amine;N-(furan-3-ylmethyl)-6-(4-methylsulfonylphenyl)pyrimidin-4-amine;N-methyl-N-(2-methylpropyl)-6-(4-methylsulfonylphenyl)pyrazin-2-amine;3-(4-methylsulfonylphenyl)-5-(thiophen-2-ylmethoxy)pyridazine;3-(4-methylsulfonylphenyl)-5-(thiophen-2-ylmethoxy)pyridine;6-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)pyrazolo[4,5-b]pyridine;5-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridazin-3-amine has a molecular weight of 2712.39 g/mol, XLogP of 25.92, 39 rotatable bonds, 4 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(4-methylsulfonylphenyl)pyridin-4-amine;N-(furan-3-ylmethyl)-2-(4-methylsulfonylphenyl)pyridin-4-amine;N-(furan-3-ylmethyl)-6-(4-methylsulfonylphenyl)pyrimidin-4-amine;N-methyl-N-(2-methylpropyl)-6-(4-methylsulfonylphenyl)pyrazin-2-amine;3-(4-methylsulfonylphenyl)-5-(thiophen-2-ylmethoxy)pyridazine;3-(4-methylsulfonylphenyl)-5-(thiophen-2-ylmethoxy)pyridine;6-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)pyrazolo[4,5-b]pyridine;5-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridazin-3-amine is sourced from PubChem (CID 167548962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).