(E)-N-methoxy-1-[1-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridin-6-yl]-1-thiophen-2-ylmethanimine;(Z)-N-methoxy-1-[1-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridin-6-yl]-1-thiophen-2-ylmethanimine;6-methoxy-5-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridin-3-amine;bis(N-methyl-1-[1-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridin-6-yl]-1-thiophen-2-ylmethanimine);6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridazin-4-amine

C114H101N17O15S12 — CID 167698318

IUPAC(E)-N-methoxy-1-[1-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridin-6-yl]-1-thiophen-2-ylmethanimine;(Z)-N-methoxy-1-[1-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridin-6-yl]-1-thiophen-2-ylmethanimine;6-methoxy-5-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridin-3-amine;bis(N-methyl-1-[1-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridin-6-yl]-1-thiophen-2-ylmethanimine);6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridazin-4-amine
SMILESC/N=C(/c1ccc2ccn(-c3ccc(S(C)(=O)=O)cc3)c2n1)c1cccs1.C/N=C(/c1ccc2ccn(-c3ccc(S(C)(=O)=O)cc3)c2n1)c1cccs1.CO/N=C(/c1ccc2ccn(-c3ccc(S(C)(=O)=O)cc3)c2n1)c1cccs1.CO/N=C(\c1ccc2ccn(-c3ccc(S(C)(=O)=O)cc3)c2n1)c1cccs1.COc1ncc(NCc2cccs2)cc1-c1ccc(S(C)(=O)=O)cc1.CS(=O)(=O)c1ccc(-c2cc(NCc3cccs3)cnn2)cc1
InChIInChI=1S/2C20H17N3O3S2.2C20H17N3O2S2.C18H18N2O3S2.C16H15N3O2S2/c2*1-26-22-19(18-4-3-13-27-18)17-10-5-14-11-12-23(20(14)21-17)15-6-8-16(9-7-15)28(2,24)25;2*1-21-19(18-4-3-13-26-18)17-10-5-14-11-12-23(20(14)22-17)15-6-8-16(9-7-15)27(2,24)25;1-23-18-17(13-5-7-16(8-6-13)25(2,21)22)10-14(11-20-18)19-12-15-4-3-9-24-15;1-23(20,21)15-6-4-12(5-7-15)16-9-13(10-18-19-16)17-11-14-3-2-8-22-14/h2*3-13H,1-2H3;2*3-13H,1-2H3;3-11,19H,12H2,1-2H3;2-10H,11H2,1H3,(H,17,19)/b22-19+;22-19-;2*21-19-;;
InChIKeyXZPANJZBDODHLV-QAXYZGEWSA-N
MW2333.97 g/mol
LogP22.75
Rot. Bonds29

About (E)-N-methoxy-1-[1-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridin-6-yl]-1-thiophen-2-ylmethanimine;(Z)-N-methoxy-1-[1-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridin-6-yl]-1-thiophen-2-ylmethanimine;6-methoxy-5-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridin-3-amine;bis(N-methyl-1-[1-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridin-6-yl]-1-thiophen-2-ylmethanimine);6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridazin-4-amine

(E)-N-methoxy-1-[1-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridin-6-yl]-1-thiophen-2-ylmethanimine;(Z)-N-methoxy-1-[1-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridin-6-yl]-1-thiophen-2-ylmethanimine;6-methoxy-5-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridin-3-amine;bis(N-methyl-1-[1-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridin-6-yl]-1-thiophen-2-ylmethanimine);6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridazin-4-amine (PubChem CID 167698318) has the molecular formula C114H101N17O15S12 and a molecular weight of 2333.97 g/mol. Its IUPAC name is (E)-N-methoxy-1-[1-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridin-6-yl]-1-thiophen-2-ylmethanimine;(Z)-N-methoxy-1-[1-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridin-6-yl]-1-thiophen-2-ylmethanimine;6-methoxy-5-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridin-3-amine;bis(N-methyl-1-[1-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridin-6-yl]-1-thiophen-2-ylmethanimine);6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridazin-4-amine.

Molecular Properties

Compound Name(E)-N-methoxy-1-[1-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridin-6-yl]-1-thiophen-2-ylmethanimine;(Z)-N-methoxy-1-[1-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridin-6-yl]-1-thiophen-2-ylmethanimine;6-methoxy-5-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridin-3-amine;bis(N-methyl-1-[1-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridin-6-yl]-1-thiophen-2-ylmethanimine);6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridazin-4-amine
PubChem CID167698318
Molecular FormulaC114H101N17O15S12
Molecular Weight2333.97 g/mol
Exact Mass2331.43
IUPAC Name(E)-N-methoxy-1-[1-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridin-6-yl]-1-thiophen-2-ylmethanimine;(Z)-N-methoxy-1-[1-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridin-6-yl]-1-thiophen-2-ylmethanimine;6-methoxy-5-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridin-3-amine;bis(N-methyl-1-[1-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridin-6-yl]-1-thiophen-2-ylmethanimine);6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridazin-4-amine
SMILESC/N=C(/c1ccc2ccn(-c3ccc(S(C)(=O)=O)cc3)c2n1)c1cccs1.C/N=C(/c1ccc2ccn(-c3ccc(S(C)(=O)=O)cc3)c2n1)c1cccs1.CO/N=C(/c1ccc2ccn(-c3ccc(S(C)(=O)=O)cc3)c2n1)c1cccs1.CO/N=C(\c1ccc2ccn(-c3ccc(S(C)(=O)=O)cc3)c2n1)c1cccs1.COc1ncc(NCc2cccs2)cc1-c1ccc(S(C)(=O)=O)cc1.CS(=O)(=O)c1ccc(-c2cc(NCc3cccs3)cnn2)cc1
InChIInChI=1S/2C20H17N3O3S2.2C20H17N3O2S2.C18H18N2O3S2.C16H15N3O2S2/c2*1-26-22-19(18-4-3-13-27-18)17-10-5-14-11-12-23(20(14)21-17)15-6-8-16(9-7-15)28(2,24)25;2*1-21-19(18-4-3-13-26-18)17-10-5-14-11-12-23(20(14)22-17)15-6-8-16(9-7-15)27(2,24)25;1-23-18-17(13-5-7-16(8-6-13)25(2,21)22)10-14(11-20-18)19-12-15-4-3-9-24-15;1-23(20,21)15-6-4-12(5-7-15)16-9-13(10-18-19-16)17-11-14-3-2-8-22-14/h2*3-13H,1-2H3;2*3-13H,1-2H3;3-11,19H,12H2,1-2H3;2-10H,11H2,1H3,(H,17,19)/b22-19+;22-19-;2*21-19-;;
InChIKeyXZPANJZBDODHLV-QAXYZGEWSA-N
XLogP22.75
TPSA415.98 Ų
H-Bond Donors2
H-Bond Acceptors38
Rotatable Bonds29
Heavy Atoms158
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002333.97
LogP ≤ 522.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (E)-N-methoxy-1-[1-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridin-6-yl]-1-thiophen-2-ylmethanimine;(Z)-N-methoxy-1-[1-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridin-6-yl]-1-thiophen-2-ylmethanimine;6-methoxy-5-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridin-3-amine;bis(N-methyl-1-[1-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridin-6-yl]-1-thiophen-2-ylmethanimine);6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridazin-4-amine with MolForge

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Related Compounds

6-(2-ethyl-5,6-difluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(1-ethylsulfonyl-3,5-dimethylpyrazol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;N-(4-methoxyphenyl)-6-(2-methylindol-1-yl)pyridin-2-amine;4-methylsulfanyl-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine
CID 159595808
2-(4-methylphenoxy)-4-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidine;6-(4-methylsulfanylphenyl)-N-(thiophen-2-ylmethyl)pyrazin-2-amine;6-(4-methylsulfinylphenyl)-N-(thiophen-2-ylmethyl)pyrazin-2-amine;5-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridin-3-amine;6-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)pyrrolo[3,2-b]pyridine;4-[6-(thiophen-2-ylmethylamino)pyrazin-2-yl]benzenesulfonamide
CID 167591361
4-[3-[3-(1,1-dioxo-1,4-thiazinan-4-yl)-3-methylbutyl]-1-phenylpyrrolo[2,3-b]pyridin-6-yl]-N-methylaniline;ethane;4-[2-methyl-4-[1-(1-methylpyrazol-4-yl)-6-[6-(trifluoromethoxy)-3-pyridinyl]pyrrolo[2,3-b]pyridin-3-yl]butan-2-yl]-1,4-thiazinane 1,1-dioxide;molecular hydrogen
CID 178169384
N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-4-fluorobenzenesulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-2-(4-methoxyphenyl)cyclopropane-1-sulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]thiophene-3-sulfonamide;N-[2,4-difluoro-3-[[3-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)-2-pyridinyl]amino]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[[3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2-pyridinyl]amino]phenyl]propane-1-sulfonamide
CID 157069661
7-(3-methoxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(4-methoxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(3-methylthiophen-2-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(4-methylthiophen-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;molecular hydrogen
CID 157304688
tert-butyl 4-[4-[[7-(2-methoxy-4-methylsulfonylphenyl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;2-chloro-7-(2-methoxy-4-methylsulfonylphenyl)-6-methylthieno[3,2-d]pyrimidine;7-(2-methoxy-4-methylsulfonylphenyl)-6-methyl-N-(1-piperidin-4-ylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine
CID 157649695
N-[(3-fluoro-2-pyridinyl)methyl]-2-(5-methylsulfonyl-3-pyridinyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(6-methoxy-5-methylsulfonyl-3-pyridinyl)-N-[(6-methoxy-2-pyridinyl)methyl]-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(6-methoxy-5-methylsulfonyl-3-pyridinyl)-5-phenyl-N-(pyrazin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;N-[(6-methoxy-2-pyridinyl)methyl]-2-(5-methylsulfonyl-3-pyridinyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 157739291
8-[4-[(dimethylamino)methyl]phenyl]-N-[(5-fluoro-2-methoxy-4-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine;N-[2-fluoro-4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]methanesulfonamide;N-[4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]methanesulfonamide;5-[2-(2-methoxy-4-methylphenyl)ethyl]-8-[2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-5-yl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-(4-methylsulfinylphenyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 157907263
2-(6-amino-5-methyl-3-pyridinyl)-5-phenyl-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;N-(cyclohexylmethyl)-5-(3,6-dihydro-2H-pyran-4-yl)-2-(5-methylsulfonyl-3-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;N-[(3-fluoro-2-pyridinyl)methyl]-2-(6-methoxy-5-methylsulfonyl-3-pyridinyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(6-methoxy-5-methylsulfonyl-3-pyridinyl)-5-phenyl-N-(pyrimidin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 157919009
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[2-[4-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-2-sulfanylideneethyl]benzenesulfonamide;1-[4-[[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]phenyl]sulfonylpropan-2-one;N-[4-[2-[4-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-2-sulfanylideneethyl]sulfonylphenyl]acetamide;1-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)phenyl]sulfonylpropan-2-one;N-[4-[2-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-sulfanylideneethyl]phenyl]sulfonylacetamide
CID 158455363
1-[7-Amino-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(6-methoxy-5-methyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-[6-(1-methylpyrrol-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(1-pyridin-3-ylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 158650961
2,5-bis(6-methoxy-3-pyridinyl)-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-(4-fluorophenyl)-2-(5-methylsulfonyl-3-pyridinyl)-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(5-methyl-3-pyridinyl)-5-phenyl-N-(1-phenylethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(2-methylsulfonyl-1,3-thiazol-4-yl)-5-phenyl-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 158998864

Frequently Asked Questions

What is the IUPAC name of (E)-N-methoxy-1-[1-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridin-6-yl]-1-thiophen-2-ylmethanimine;(Z)-N-methoxy-1-[1-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridin-6-yl]-1-thiophen-2-ylmethanimine;6-methoxy-5-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridin-3-amine;bis(N-methyl-1-[1-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridin-6-yl]-1-thiophen-2-ylmethanimine);6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridazin-4-amine?
The IUPAC name of (E)-N-methoxy-1-[1-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridin-6-yl]-1-thiophen-2-ylmethanimine;(Z)-N-methoxy-1-[1-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridin-6-yl]-1-thiophen-2-ylmethanimine;6-methoxy-5-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridin-3-amine;bis(N-methyl-1-[1-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridin-6-yl]-1-thiophen-2-ylmethanimine);6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridazin-4-amine (CID 167698318) is (E)-N-methoxy-1-[1-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridin-6-yl]-1-thiophen-2-ylmethanimine;(Z)-N-methoxy-1-[1-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridin-6-yl]-1-thiophen-2-ylmethanimine;6-methoxy-5-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridin-3-amine;bis(N-methyl-1-[1-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridin-6-yl]-1-thiophen-2-ylmethanimine);6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridazin-4-amine.
What is the SMILES notation for (E)-N-methoxy-1-[1-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridin-6-yl]-1-thiophen-2-ylmethanimine;(Z)-N-methoxy-1-[1-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridin-6-yl]-1-thiophen-2-ylmethanimine;6-methoxy-5-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridin-3-amine;bis(N-methyl-1-[1-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridin-6-yl]-1-thiophen-2-ylmethanimine);6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridazin-4-amine?
The canonical SMILES for (E)-N-methoxy-1-[1-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridin-6-yl]-1-thiophen-2-ylmethanimine;(Z)-N-methoxy-1-[1-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridin-6-yl]-1-thiophen-2-ylmethanimine;6-methoxy-5-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridin-3-amine;bis(N-methyl-1-[1-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridin-6-yl]-1-thiophen-2-ylmethanimine);6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridazin-4-amine is C/N=C(/c1ccc2ccn(-c3ccc(S(C)(=O)=O)cc3)c2n1)c1cccs1.C/N=C(/c1ccc2ccn(-c3ccc(S(C)(=O)=O)cc3)c2n1)c1cccs1.CO/N=C(/c1ccc2ccn(-c3ccc(S(C)(=O)=O)cc3)c2n1)c1cccs1.CO/N=C(\c1ccc2ccn(-c3ccc(S(C)(=O)=O)cc3)c2n1)c1cccs1.COc1ncc(NCc2cccs2)cc1-c1ccc(S(C)(=O)=O)cc1.CS(=O)(=O)c1ccc(-c2cc(NCc3cccs3)cnn2)cc1.
What is the InChIKey of (E)-N-methoxy-1-[1-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridin-6-yl]-1-thiophen-2-ylmethanimine;(Z)-N-methoxy-1-[1-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridin-6-yl]-1-thiophen-2-ylmethanimine;6-methoxy-5-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridin-3-amine;bis(N-methyl-1-[1-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridin-6-yl]-1-thiophen-2-ylmethanimine);6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridazin-4-amine?
The InChIKey is XZPANJZBDODHLV-QAXYZGEWSA-N. The full InChI is InChI=1S/2C20H17N3O3S2.2C20H17N3O2S2.C18H18N2O3S2.C16H15N3O2S2/c2*1-26-22-19(18-4-3-13-27-18)17-10-5-14-11-12-23(20(14)21-17)15-6-8-16(9-7-15)28(2,24)25;2*1-21-19(18-4-3-13-26-18)17-10-5-14-11-12-23(20(14)22-17)15-6-8-16(9-7-15)27(2,24)25;1-23-18-17(13-5-7-16(8-6-13)25(2,21)22)10-14(11-20-18)19-12-15-4-3-9-24-15;1-23(20,21)15-6-4-12(5-7-15)16-9-13(10-18-19-16)17-11-14-3-2-8-22-14/h2*3-13H,1-2H3;2*3-13H,1-2H3;3-11,19H,12H2,1-2H3;2-10H,11H2,1H3,(H,17,19)/b22-19+;22-19-;2*21-19-;;.
What are the key properties of (E)-N-methoxy-1-[1-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridin-6-yl]-1-thiophen-2-ylmethanimine;(Z)-N-methoxy-1-[1-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridin-6-yl]-1-thiophen-2-ylmethanimine;6-methoxy-5-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridin-3-amine;bis(N-methyl-1-[1-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridin-6-yl]-1-thiophen-2-ylmethanimine);6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridazin-4-amine?
(E)-N-methoxy-1-[1-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridin-6-yl]-1-thiophen-2-ylmethanimine;(Z)-N-methoxy-1-[1-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridin-6-yl]-1-thiophen-2-ylmethanimine;6-methoxy-5-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridin-3-amine;bis(N-methyl-1-[1-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridin-6-yl]-1-thiophen-2-ylmethanimine);6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridazin-4-amine has a molecular weight of 2333.97 g/mol, XLogP of 22.75, 29 rotatable bonds, 2 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methoxy-1-[1-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridin-6-yl]-1-thiophen-2-ylmethanimine;(Z)-N-methoxy-1-[1-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridin-6-yl]-1-thiophen-2-ylmethanimine;6-methoxy-5-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridin-3-amine;bis(N-methyl-1-[1-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridin-6-yl]-1-thiophen-2-ylmethanimine);6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridazin-4-amine is sourced from PubChem (CID 167698318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).