tert-butyl 2-[[2-(2-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]sulfamoyl]acetate;6-(2-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-diamine;2-cyclopropyl-6-fluoro-3-[4-(sulfamoylamino)-6-[4-(trifluoromethyl)anilino]-2-pyridinyl]imidazo[1,2-a]pyridine;N-(oxomethylidene)sulfamoyl chloride

C73H62ClF12N17O9S3 — CID 162038559

IUPACtert-butyl 2-[[2-(2-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]sulfamoyl]acetate;6-(2-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-diamine;2-cyclopropyl-6-fluoro-3-[4-(sulfamoylamino)-6-[4-(trifluoromethyl)anilino]-2-pyridinyl]imidazo[1,2-a]pyridine;N-(oxomethylidene)sulfamoyl chloride
SMILESCC(C)(C)OC(=O)CS(=O)(=O)Nc1cc(Nc2ccc(C(F)(F)F)cc2)nc(-c2c(C3CC3)nc3ccc(F)cn23)c1.NS(=O)(=O)Nc1cc(Nc2ccc(C(F)(F)F)cc2)nc(-c2c(C3CC3)nc3ccc(F)cn23)c1.Nc1cc(Nc2ccc(C(F)(F)F)cc2)nc(-c2c(C3CC3)nc3ccc(F)cn23)c1.O=C=NS(=O)(=O)Cl
InChIInChI=1S/C28H27F4N5O4S.C22H18F4N6O2S.C22H17F4N5.CClNO3S/c1-27(2,3)41-24(38)15-42(39,40)36-20-12-21(26-25(16-4-5-16)35-23-11-8-18(29)14-37(23)26)34-22(13-20)33-19-9-6-17(7-10-19)28(30,31)32;23-14-5-8-19-30-20(12-1-2-12)21(32(19)11-14)17-9-16(31-35(27,33)34)10-18(29-17)28-15-6-3-13(4-7-15)22(24,25)26;23-14-5-8-19-30-20(12-1-2-12)21(31(19)11-14)17-9-15(27)10-18(29-17)28-16-6-3-13(4-7-16)22(24,25)26;2-7(5,6)3-1-4/h6-14,16H,4-5,15H2,1-3H3,(H2,33,34,36);3-12H,1-2H2,(H2,27,33,34)(H2,28,29,31);3-12H,1-2H2,(H3,27,28,29);
InChIKeyYWYUHIVZVNTICU-UHFFFAOYSA-N
MW1681.04 g/mol
LogP16.61
Rot. Bonds19

About tert-butyl 2-[[2-(2-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]sulfamoyl]acetate;6-(2-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-diamine;2-cyclopropyl-6-fluoro-3-[4-(sulfamoylamino)-6-[4-(trifluoromethyl)anilino]-2-pyridinyl]imidazo[1,2-a]pyridine;N-(oxomethylidene)sulfamoyl chloride

tert-butyl 2-[[2-(2-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]sulfamoyl]acetate;6-(2-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-diamine;2-cyclopropyl-6-fluoro-3-[4-(sulfamoylamino)-6-[4-(trifluoromethyl)anilino]-2-pyridinyl]imidazo[1,2-a]pyridine;N-(oxomethylidene)sulfamoyl chloride (PubChem CID 162038559) has the molecular formula C73H62ClF12N17O9S3 and a molecular weight of 1681.04 g/mol. Its IUPAC name is tert-butyl 2-[[2-(2-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]sulfamoyl]acetate;6-(2-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-diamine;2-cyclopropyl-6-fluoro-3-[4-(sulfamoylamino)-6-[4-(trifluoromethyl)anilino]-2-pyridinyl]imidazo[1,2-a]pyridine;N-(oxomethylidene)sulfamoyl chloride.

Molecular Properties

Compound Nametert-butyl 2-[[2-(2-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]sulfamoyl]acetate;6-(2-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-diamine;2-cyclopropyl-6-fluoro-3-[4-(sulfamoylamino)-6-[4-(trifluoromethyl)anilino]-2-pyridinyl]imidazo[1,2-a]pyridine;N-(oxomethylidene)sulfamoyl chloride
PubChem CID162038559
Molecular FormulaC73H62ClF12N17O9S3
Molecular Weight1681.04 g/mol
Exact Mass1679.36
IUPAC Nametert-butyl 2-[[2-(2-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]sulfamoyl]acetate;6-(2-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-diamine;2-cyclopropyl-6-fluoro-3-[4-(sulfamoylamino)-6-[4-(trifluoromethyl)anilino]-2-pyridinyl]imidazo[1,2-a]pyridine;N-(oxomethylidene)sulfamoyl chloride
SMILESCC(C)(C)OC(=O)CS(=O)(=O)Nc1cc(Nc2ccc(C(F)(F)F)cc2)nc(-c2c(C3CC3)nc3ccc(F)cn23)c1.NS(=O)(=O)Nc1cc(Nc2ccc(C(F)(F)F)cc2)nc(-c2c(C3CC3)nc3ccc(F)cn23)c1.Nc1cc(Nc2ccc(C(F)(F)F)cc2)nc(-c2c(C3CC3)nc3ccc(F)cn23)c1.O=C=NS(=O)(=O)Cl
InChIInChI=1S/C28H27F4N5O4S.C22H18F4N6O2S.C22H17F4N5.CClNO3S/c1-27(2,3)41-24(38)15-42(39,40)36-20-12-21(26-25(16-4-5-16)35-23-11-8-18(29)14-37(23)26)34-22(13-20)33-19-9-6-17(7-10-19)28(30,31)32;23-14-5-8-19-30-20(12-1-2-12)21(32(19)11-14)17-9-16(31-35(27,33)34)10-18(29-17)28-15-6-3-13(4-7-15)22(24,25)26;23-14-5-8-19-30-20(12-1-2-12)21(31(19)11-14)17-9-15(27)10-18(29-17)28-16-6-3-13(4-7-16)22(24,25)26;2-7(5,6)3-1-4/h6-14,16H,4-5,15H2,1-3H3,(H2,33,34,36);3-12H,1-2H2,(H2,27,33,34)(H2,28,29,31);3-12H,1-2H2,(H3,27,28,29);
InChIKeyYWYUHIVZVNTICU-UHFFFAOYSA-N
XLogP16.61
TPSA360.91 Ų
H-Bond Donors7
H-Bond Acceptors22
Rotatable Bonds19
Heavy Atoms115
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001681.04
LogP ≤ 516.61
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}

Analyze tert-butyl 2-[[2-(2-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]sulfamoyl]acetate;6-(2-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-diamine;2-cyclopropyl-6-fluoro-3-[4-(sulfamoylamino)-6-[4-(trifluoromethyl)anilino]-2-pyridinyl]imidazo[1,2-a]pyridine;N-(oxomethylidene)sulfamoyl chloride with MolForge

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Related Compounds

tert-butyl N-[2-chloro-6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-(2,6-dichloro-4-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;6-fluoro-2-methylimidazo[1,2-a]pyridine;6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-diamine;4-methylaniline
CID 158429729
N-[4-[1-(cyclopropylmethyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;N-[4-(1-cyclopropylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]acetamide;2,2-difluoro-N-[4-(7-methyl-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]cyclopropane-1-carboxamide;methyl N-[4-(7-methyl-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate
CID 159064951
Tert-butyl 4-[4-[1-[(2,2-difluorocyclopropyl)methyl]-3-methyl-2,2-dioxo-[1,2,5]thiadiazolo[3,4-b]pyridin-5-yl]phenyl]piperazine-1-carboxylate;1-[(2,2-difluorocyclopropyl)methyl]-3-methyl-5-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-[1,2,5]thiadiazolo[3,4-b]pyridine 2,2-dioxide;1-[(2,2-difluorocyclopropyl)methyl]-3-methyl-5-(4-piperazin-1-ylphenyl)-[1,2,5]thiadiazolo[3,4-b]pyridine 2,2-dioxide;methanesulfonyl chloride;hydrochloride
CID 159844277
2-methylpropane-1-sulfonyl chloride;2-[2-[[(3R,5S)-1-(2-methylpropylsulfonyl)-5-(trifluoromethyl)piperidin-3-yl]methyl]-3-pyridinyl]-5H-pyrrolo[2,3-b]pyrazine;2-[2-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]methyl]-3-pyridinyl]-5H-pyrrolo[2,3-b]pyrazine
CID 160357221
4-[7-(aminomethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;4-[7-ethyl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;N-[[3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-7-yl]methyl]methanesulfonamide
CID 160385655
Tert-butyl 2-[[2-(2-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]sulfamoyl]acetate
CID 162038560
bis(butanedioic acid);bis(N-[3-[5-[(1-ethylpiperidin-4-yl)-methylamino]-3-pyrimidin-5-ylpyrrolo[3,2-b]pyridin-1-yl]-2,4-difluorophenyl]propane-1-sulfonamide)
CID 157248000
N-[4-(azetidin-3-yl)-2,6-difluorophenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;tert-butyl 3-[3,5-difluoro-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]azetidine-1-carboxylate;N-[2,6-difluoro-4-(1-methylsulfonylazetidin-3-yl)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine
CID 157309211
bis(2-ethyl-N-[4-(4-fluorophenyl)pyrimidin-2-yl]-N-methyl-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyridin-3-amine);2-ethyl-N-methyl-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyridin-3-amine
CID 157311100
1-[3-(cyclopropylmethylsulfonylmethyl)-2,6-difluorophenyl]-5-(4-ethylpiperazin-1-yl)-3-pyrimidin-5-ylpyrrolo[3,2-b]pyridine;1-[3-(cyclopropylmethylsulfonylmethyl)-2,6-difluorophenyl]-5-(4-methylpiperazin-1-yl)-3-pyrimidin-5-ylpyrrolo[3,2-b]pyridine;5-[3-(cyclopropylmethylsulfonylmethyl)-2,6-difluorophenyl]-N-methyl-N-piperidin-4-yl-7-pyrimidin-5-ylpyrrolo[3,2-d]pyrimidin-2-amine;1-[2,6-difluoro-3-(oxolan-2-ylmethylsulfonylmethyl)phenyl]-5-(4-methylpiperazin-1-yl)-3-pyrimidin-5-ylpyrrolo[3,2-b]pyridine;methane
CID 157548515
tert-butyl (3S)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methylsulfonylpyrimidin-4-yl]methyl]piperidine-1-carboxylate;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methylsulfonyl-1H-pyrimidin-6-one;6-fluoro-3-[5-methylsulfonyl-4-[[(3S)-piperidin-3-yl]methyl]pyrimidin-2-yl]imidazo[1,2-a]pyridine
CID 157927168
Tert-butyl 4-[[1-[3-(cyclopropylsulfonylmethyl)-2,6-difluorophenyl]-3-pyrimidin-5-ylpyrrolo[3,2-b]pyridin-5-yl]-methylamino]piperidine-1-carboxylate;1-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-5-(4-ethylpiperazin-1-yl)-3-pyrimidin-5-ylpyrrolo[3,2-b]pyridine;5-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-2-(4-ethylpiperazin-1-yl)-7-pyrimidin-5-ylpyrrolo[3,2-d]pyrimidine;5-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-2-(4-methylpiperazin-1-yl)-7-pyrimidin-5-ylpyrrolo[3,2-d]pyrimidine;methane
CID 158209835

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[2-(2-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]sulfamoyl]acetate;6-(2-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-diamine;2-cyclopropyl-6-fluoro-3-[4-(sulfamoylamino)-6-[4-(trifluoromethyl)anilino]-2-pyridinyl]imidazo[1,2-a]pyridine;N-(oxomethylidene)sulfamoyl chloride?
The IUPAC name of tert-butyl 2-[[2-(2-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]sulfamoyl]acetate;6-(2-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-diamine;2-cyclopropyl-6-fluoro-3-[4-(sulfamoylamino)-6-[4-(trifluoromethyl)anilino]-2-pyridinyl]imidazo[1,2-a]pyridine;N-(oxomethylidene)sulfamoyl chloride (CID 162038559) is tert-butyl 2-[[2-(2-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]sulfamoyl]acetate;6-(2-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-diamine;2-cyclopropyl-6-fluoro-3-[4-(sulfamoylamino)-6-[4-(trifluoromethyl)anilino]-2-pyridinyl]imidazo[1,2-a]pyridine;N-(oxomethylidene)sulfamoyl chloride.
What is the SMILES notation for tert-butyl 2-[[2-(2-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]sulfamoyl]acetate;6-(2-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-diamine;2-cyclopropyl-6-fluoro-3-[4-(sulfamoylamino)-6-[4-(trifluoromethyl)anilino]-2-pyridinyl]imidazo[1,2-a]pyridine;N-(oxomethylidene)sulfamoyl chloride?
The canonical SMILES for tert-butyl 2-[[2-(2-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]sulfamoyl]acetate;6-(2-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-diamine;2-cyclopropyl-6-fluoro-3-[4-(sulfamoylamino)-6-[4-(trifluoromethyl)anilino]-2-pyridinyl]imidazo[1,2-a]pyridine;N-(oxomethylidene)sulfamoyl chloride is CC(C)(C)OC(=O)CS(=O)(=O)Nc1cc(Nc2ccc(C(F)(F)F)cc2)nc(-c2c(C3CC3)nc3ccc(F)cn23)c1.NS(=O)(=O)Nc1cc(Nc2ccc(C(F)(F)F)cc2)nc(-c2c(C3CC3)nc3ccc(F)cn23)c1.Nc1cc(Nc2ccc(C(F)(F)F)cc2)nc(-c2c(C3CC3)nc3ccc(F)cn23)c1.O=C=NS(=O)(=O)Cl.
What is the InChIKey of tert-butyl 2-[[2-(2-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]sulfamoyl]acetate;6-(2-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-diamine;2-cyclopropyl-6-fluoro-3-[4-(sulfamoylamino)-6-[4-(trifluoromethyl)anilino]-2-pyridinyl]imidazo[1,2-a]pyridine;N-(oxomethylidene)sulfamoyl chloride?
The InChIKey is YWYUHIVZVNTICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27F4N5O4S.C22H18F4N6O2S.C22H17F4N5.CClNO3S/c1-27(2,3)41-24(38)15-42(39,40)36-20-12-21(26-25(16-4-5-16)35-23-11-8-18(29)14-37(23)26)34-22(13-20)33-19-9-6-17(7-10-19)28(30,31)32;23-14-5-8-19-30-20(12-1-2-12)21(32(19)11-14)17-9-16(31-35(27,33)34)10-18(29-17)28-15-6-3-13(4-7-15)22(24,25)26;23-14-5-8-19-30-20(12-1-2-12)21(31(19)11-14)17-9-15(27)10-18(29-17)28-16-6-3-13(4-7-16)22(24,25)26;2-7(5,6)3-1-4/h6-14,16H,4-5,15H2,1-3H3,(H2,33,34,36);3-12H,1-2H2,(H2,27,33,34)(H2,28,29,31);3-12H,1-2H2,(H3,27,28,29);.
What are the key properties of tert-butyl 2-[[2-(2-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]sulfamoyl]acetate;6-(2-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-diamine;2-cyclopropyl-6-fluoro-3-[4-(sulfamoylamino)-6-[4-(trifluoromethyl)anilino]-2-pyridinyl]imidazo[1,2-a]pyridine;N-(oxomethylidene)sulfamoyl chloride?
tert-butyl 2-[[2-(2-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]sulfamoyl]acetate;6-(2-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-diamine;2-cyclopropyl-6-fluoro-3-[4-(sulfamoylamino)-6-[4-(trifluoromethyl)anilino]-2-pyridinyl]imidazo[1,2-a]pyridine;N-(oxomethylidene)sulfamoyl chloride has a molecular weight of 1681.04 g/mol, XLogP of 16.61, 19 rotatable bonds, 7 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[2-(2-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]sulfamoyl]acetate;6-(2-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-diamine;2-cyclopropyl-6-fluoro-3-[4-(sulfamoylamino)-6-[4-(trifluoromethyl)anilino]-2-pyridinyl]imidazo[1,2-a]pyridine;N-(oxomethylidene)sulfamoyl chloride is sourced from PubChem (CID 162038559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).