N-[5-(5-bromo-1-methyl-4-phenylpyrrol-2-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(5-bromo-1-methyl-4-phenylpyrrol-2-yl)-2-pyridinyl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]-2-pyridinyl]benzamide;2,6-difluoro-N-[5-(1-methyl-4-phenylpyrrol-2-yl)pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-(1-methyl-4-phenylpyrrol-2-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]pyrazin-2-yl]benzamide

C131H94Br2F12N24O6S — CID 158819708

IUPACN-[5-(5-bromo-1-methyl-4-phenylpyrrol-2-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(5-bromo-1-methyl-4-phenylpyrrol-2-yl)-2-pyridinyl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]-2-pyridinyl]benzamide;2,6-difluoro-N-[5-(1-methyl-4-phenylpyrrol-2-yl)pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-(1-methyl-4-phenylpyrrol-2-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]pyrazin-2-yl]benzamide
SMILESCc1ccccc1-c1cc(-c2ccc(NC(=O)c3c(F)cccc3F)nc2)n(C)n1.Cn1c(-c2ccc(NC(=O)c3c(F)cccc3F)nc2)cc(-c2ccccc2)c1Br.Cn1c(-c2cnc(NC(=O)c3c(F)cccc3F)cn2)cc(-c2ccccc2)c1Br.Cn1cc(-c2ccccc2)cc1-c1ccc(NC(=O)c2c(F)cccc2F)nc1.Cn1cc(-c2ccccc2)cc1-c1cnc(NC(=O)c2c(F)cccc2F)cn1.Cn1nc(-c2nccs2)cc1-c1cnc(NC(=O)c2c(F)cccc2F)cn1
InChIInChI=1S/C23H16BrF2N3O.C23H18F2N4O.C23H17F2N3O.C22H15BrF2N4O.C22H16F2N4O.C18H12F2N6OS/c1-29-19(12-16(22(29)24)14-6-3-2-4-7-14)15-10-11-20(27-13-15)28-23(30)21-17(25)8-5-9-18(21)26;1-14-6-3-4-7-16(14)19-12-20(29(2)28-19)15-10-11-21(26-13-15)27-23(30)22-17(24)8-5-9-18(22)25;1-28-14-17(15-6-3-2-4-7-15)12-20(28)16-10-11-21(26-13-16)27-23(29)22-18(24)8-5-9-19(22)25;1-29-18(10-14(21(29)23)13-6-3-2-4-7-13)17-11-27-19(12-26-17)28-22(30)20-15(24)8-5-9-16(20)25;1-28-13-15(14-6-3-2-4-7-14)10-19(28)18-11-26-20(12-25-18)27-22(29)21-16(23)8-5-9-17(21)24;1-26-14(7-12(25-26)18-21-5-6-28-18)13-8-23-15(9-22-13)24-17(27)16-10(19)3-2-4-11(16)20/h2-13H,1H3,(H,27,28,30);3-13H,1-2H3,(H,26,27,30);2-14H,1H3,(H,26,27,29);2-12H,1H3,(H,27,28,30);2-13H,1H3,(H,26,27,29);2-9H,1H3,(H,23,24,27)
InChIKeyIVSBUJLKGQGSLV-UHFFFAOYSA-N
MW2520.21 g/mol
LogP29.97
Rot. Bonds24

About N-[5-(5-bromo-1-methyl-4-phenylpyrrol-2-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(5-bromo-1-methyl-4-phenylpyrrol-2-yl)-2-pyridinyl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]-2-pyridinyl]benzamide;2,6-difluoro-N-[5-(1-methyl-4-phenylpyrrol-2-yl)pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-(1-methyl-4-phenylpyrrol-2-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]pyrazin-2-yl]benzamide

N-[5-(5-bromo-1-methyl-4-phenylpyrrol-2-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(5-bromo-1-methyl-4-phenylpyrrol-2-yl)-2-pyridinyl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]-2-pyridinyl]benzamide;2,6-difluoro-N-[5-(1-methyl-4-phenylpyrrol-2-yl)pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-(1-methyl-4-phenylpyrrol-2-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]pyrazin-2-yl]benzamide (PubChem CID 158819708) has the molecular formula C131H94Br2F12N24O6S and a molecular weight of 2520.21 g/mol. Its IUPAC name is N-[5-(5-bromo-1-methyl-4-phenylpyrrol-2-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(5-bromo-1-methyl-4-phenylpyrrol-2-yl)-2-pyridinyl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]-2-pyridinyl]benzamide;2,6-difluoro-N-[5-(1-methyl-4-phenylpyrrol-2-yl)pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-(1-methyl-4-phenylpyrrol-2-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]pyrazin-2-yl]benzamide.

Molecular Properties

Compound NameN-[5-(5-bromo-1-methyl-4-phenylpyrrol-2-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(5-bromo-1-methyl-4-phenylpyrrol-2-yl)-2-pyridinyl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]-2-pyridinyl]benzamide;2,6-difluoro-N-[5-(1-methyl-4-phenylpyrrol-2-yl)pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-(1-methyl-4-phenylpyrrol-2-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]pyrazin-2-yl]benzamide
PubChem CID158819708
Molecular FormulaC131H94Br2F12N24O6S
Molecular Weight2520.21 g/mol
Exact Mass2516.57
IUPAC NameN-[5-(5-bromo-1-methyl-4-phenylpyrrol-2-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(5-bromo-1-methyl-4-phenylpyrrol-2-yl)-2-pyridinyl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]-2-pyridinyl]benzamide;2,6-difluoro-N-[5-(1-methyl-4-phenylpyrrol-2-yl)pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-(1-methyl-4-phenylpyrrol-2-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]pyrazin-2-yl]benzamide
SMILESCc1ccccc1-c1cc(-c2ccc(NC(=O)c3c(F)cccc3F)nc2)n(C)n1.Cn1c(-c2ccc(NC(=O)c3c(F)cccc3F)nc2)cc(-c2ccccc2)c1Br.Cn1c(-c2cnc(NC(=O)c3c(F)cccc3F)cn2)cc(-c2ccccc2)c1Br.Cn1cc(-c2ccccc2)cc1-c1ccc(NC(=O)c2c(F)cccc2F)nc1.Cn1cc(-c2ccccc2)cc1-c1cnc(NC(=O)c2c(F)cccc2F)cn1.Cn1nc(-c2nccs2)cc1-c1cnc(NC(=O)c2c(F)cccc2F)cn1
InChIInChI=1S/C23H16BrF2N3O.C23H18F2N4O.C23H17F2N3O.C22H15BrF2N4O.C22H16F2N4O.C18H12F2N6OS/c1-29-19(12-16(22(29)24)14-6-3-2-4-7-14)15-10-11-20(27-13-15)28-23(30)21-17(25)8-5-9-18(21)26;1-14-6-3-4-7-16(14)19-12-20(29(2)28-19)15-10-11-21(26-13-15)27-23(30)22-17(24)8-5-9-18(22)25;1-28-14-17(15-6-3-2-4-7-15)12-20(28)16-10-11-21(26-13-16)27-23(29)22-18(24)8-5-9-19(22)25;1-29-18(10-14(21(29)23)13-6-3-2-4-7-13)17-11-27-19(12-26-17)28-22(30)20-15(24)8-5-9-16(20)25;1-28-13-15(14-6-3-2-4-7-14)10-19(28)18-11-26-20(12-25-18)27-22(29)21-16(23)8-5-9-17(21)24;1-26-14(7-12(25-26)18-21-5-6-28-18)13-8-23-15(9-22-13)24-17(27)16-10(19)3-2-4-11(16)20/h2-13H,1H3,(H,27,28,30);3-13H,1-2H3,(H,26,27,30);2-14H,1H3,(H,26,27,29);2-12H,1H3,(H,27,28,30);2-13H,1H3,(H,26,27,29);2-9H,1H3,(H,23,24,27)
InChIKeyIVSBUJLKGQGSLV-UHFFFAOYSA-N
XLogP29.97
TPSA358.86 Ų
H-Bond Donors6
H-Bond Acceptors25
Rotatable Bonds24
Heavy Atoms176
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002520.21
LogP ≤ 529.97
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1025

Analyze N-[5-(5-bromo-1-methyl-4-phenylpyrrol-2-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(5-bromo-1-methyl-4-phenylpyrrol-2-yl)-2-pyridinyl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]-2-pyridinyl]benzamide;2,6-difluoro-N-[5-(1-methyl-4-phenylpyrrol-2-yl)pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-(1-methyl-4-phenylpyrrol-2-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]pyrazin-2-yl]benzamide with MolForge

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Related Compounds

2-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole;2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-[1-(1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrazol-4-yl]-2-pyridinyl]benzamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;bis(5-[1-(1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrazol-4-yl]pyridin-2-amine)
CID 158837369
2,6-difluoro-N-[5-[1-methyl-4-(trifluoromethyl)pyrrol-2-yl]pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-[1-methyl-4-(trifluoromethyl)pyrrol-2-yl]-2-pyridinyl]benzamide;N-[5-[3-(2,6-difluorophenyl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2,6-difluorobenzamide;N-[5-[3-(2,6-difluorophenyl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2-fluorobenzamide;N-[5-[3-(2,6-difluorophenyl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2-methylbenzamide
CID 159408728
3-bromo-N-[6-[3-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;(6-fluoro-3-pyridinyl)boronic acid;3-(6-fluoro-3-pyridinyl)-N-[6-[3-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide
CID 159753538
(1-benzylimidazol-4-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(2,5-dimethylpyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4,6-dimethyl-2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidine;(1-methylimidazol-4-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(3-methylimidazol-4-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(3-methyl-2H-pyrrol-5-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4-methyl-2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidine;5-methyl-2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidine;3H-pyrrol-5-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,3-thiazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 159841252
6-(5-Cyclopenta-1,4-dien-1-yl-2-pyridinyl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-6-[1-(3-methyltriazol-4-yl)imidazol-2-yl]pyrido[2,3-d]pyrimidin-7-one;6-[4-(4-methyl-1,5-dihydro-1,2,4-triazol-3-yl)phenyl]-2-[4-[(1-methylpiperidin-4-yl)methyl]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]-6-[2-(2-methyltetrazol-5-yl)phenyl]-8-phenylpyrido[2,3-d]pyrimidin-7-one
CID 161198501
N-[5-[3-(2,6-difluorocyclohexa-1,3-dien-1-yl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2-methylbenzamide;2,6-difluoro-N-[5-[1-methyl-4-(trifluoromethyl)pyrrol-2-yl]pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-[1-methyl-4-(trifluoromethyl)pyrrol-2-yl]-2-pyridinyl]benzamide;N-[5-[3-(2,6-difluorophenyl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2,6-difluorobenzamide;N-[5-[3-(2,6-difluorophenyl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2-fluorobenzamide;2-fluoro-N-[5-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]-2-pyridinyl]benzamide;2-methyl-N-[5-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]-2-pyridinyl]benzamide
CID 161645545
6-[3,5-Dimethyl-1-(1-methylimidazol-2-yl)pyrazol-4-yl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-(1-methylpyrrol-2-yl)phenyl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-2-(2-methylpyrazol-3-yl)pyrimidin-5-yl]-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one
CID 161650331
3-[4-[2-(cyclopropanecarbonylamino)-1,3-thiazol-5-yl]triazol-1-yl]-N-[3-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[4-fluoro-3-[4-(2-fluoroethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[4-fluoro-3-[methyl-(1-methylpiperidin-4-yl)amino]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;4-methyl-3-[4-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]triazol-1-yl]-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-(1,3-thiazol-5-yl)triazol-1-yl]benzamide
CID 162056682
[4-[12-Fluoro-4-(1-methylpyrazol-4-yl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl]phenyl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone;[4-[12-fluoro-4-(1-methylpyrazol-4-yl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl]phenyl]-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone
CID 87113537
8-butyl-2-phenyl-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one;2-(3-fluorophenyl)-8-methyl-3-[(1S)-1-[(2-methyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]isoquinolin-1-one;8-(2-methoxy-1,3-thiazol-5-yl)-2-phenyl-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one;8-(1-methylpyrazol-4-yl)-2-phenyl-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one;2-phenyl-8-pyridin-2-yl-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one
CID 157080238
2-(4-bromo-3-ethylpyrazol-1-yl)-1,3-thiazole;2,6-difluorobenzoyl chloride;bis(5-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyridin-2-amine);N-[5-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]-2-pyridinyl]-2,6-difluorobenzamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
CID 157246801
2,6-difluoro-N-[4-[2-methyl-5-(1-methyltetrazol-5-yl)thiophen-3-yl]phenyl]benzamide;2,6-difluoro-N-[4-[2-methyl-5-(2-methyltetrazol-5-yl)thiophen-3-yl]phenyl]benzamide;N-[5-[5-ethyl-2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-[5-ethyl-2-(2-methyl-3-pyridinyl)-1,3-thiazol-4-yl]-2-pyridinyl]-3-fluoro-2-methylbenzamide;3-fluoro-2-methyl-N-[5-(5-methyl-2-pyrazin-2-yl-1,3-thiazol-4-yl)-2-pyridinyl]benzamide
CID 157676907

Frequently Asked Questions

What is the IUPAC name of N-[5-(5-bromo-1-methyl-4-phenylpyrrol-2-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(5-bromo-1-methyl-4-phenylpyrrol-2-yl)-2-pyridinyl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]-2-pyridinyl]benzamide;2,6-difluoro-N-[5-(1-methyl-4-phenylpyrrol-2-yl)pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-(1-methyl-4-phenylpyrrol-2-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]pyrazin-2-yl]benzamide?
The IUPAC name of N-[5-(5-bromo-1-methyl-4-phenylpyrrol-2-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(5-bromo-1-methyl-4-phenylpyrrol-2-yl)-2-pyridinyl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]-2-pyridinyl]benzamide;2,6-difluoro-N-[5-(1-methyl-4-phenylpyrrol-2-yl)pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-(1-methyl-4-phenylpyrrol-2-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]pyrazin-2-yl]benzamide (CID 158819708) is N-[5-(5-bromo-1-methyl-4-phenylpyrrol-2-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(5-bromo-1-methyl-4-phenylpyrrol-2-yl)-2-pyridinyl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]-2-pyridinyl]benzamide;2,6-difluoro-N-[5-(1-methyl-4-phenylpyrrol-2-yl)pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-(1-methyl-4-phenylpyrrol-2-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]pyrazin-2-yl]benzamide.
What is the SMILES notation for N-[5-(5-bromo-1-methyl-4-phenylpyrrol-2-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(5-bromo-1-methyl-4-phenylpyrrol-2-yl)-2-pyridinyl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]-2-pyridinyl]benzamide;2,6-difluoro-N-[5-(1-methyl-4-phenylpyrrol-2-yl)pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-(1-methyl-4-phenylpyrrol-2-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]pyrazin-2-yl]benzamide?
The canonical SMILES for N-[5-(5-bromo-1-methyl-4-phenylpyrrol-2-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(5-bromo-1-methyl-4-phenylpyrrol-2-yl)-2-pyridinyl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]-2-pyridinyl]benzamide;2,6-difluoro-N-[5-(1-methyl-4-phenylpyrrol-2-yl)pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-(1-methyl-4-phenylpyrrol-2-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]pyrazin-2-yl]benzamide is Cc1ccccc1-c1cc(-c2ccc(NC(=O)c3c(F)cccc3F)nc2)n(C)n1.Cn1c(-c2ccc(NC(=O)c3c(F)cccc3F)nc2)cc(-c2ccccc2)c1Br.Cn1c(-c2cnc(NC(=O)c3c(F)cccc3F)cn2)cc(-c2ccccc2)c1Br.Cn1cc(-c2ccccc2)cc1-c1ccc(NC(=O)c2c(F)cccc2F)nc1.Cn1cc(-c2ccccc2)cc1-c1cnc(NC(=O)c2c(F)cccc2F)cn1.Cn1nc(-c2nccs2)cc1-c1cnc(NC(=O)c2c(F)cccc2F)cn1.
What is the InChIKey of N-[5-(5-bromo-1-methyl-4-phenylpyrrol-2-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(5-bromo-1-methyl-4-phenylpyrrol-2-yl)-2-pyridinyl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]-2-pyridinyl]benzamide;2,6-difluoro-N-[5-(1-methyl-4-phenylpyrrol-2-yl)pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-(1-methyl-4-phenylpyrrol-2-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]pyrazin-2-yl]benzamide?
The InChIKey is IVSBUJLKGQGSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16BrF2N3O.C23H18F2N4O.C23H17F2N3O.C22H15BrF2N4O.C22H16F2N4O.C18H12F2N6OS/c1-29-19(12-16(22(29)24)14-6-3-2-4-7-14)15-10-11-20(27-13-15)28-23(30)21-17(25)8-5-9-18(21)26;1-14-6-3-4-7-16(14)19-12-20(29(2)28-19)15-10-11-21(26-13-15)27-23(30)22-17(24)8-5-9-18(22)25;1-28-14-17(15-6-3-2-4-7-15)12-20(28)16-10-11-21(26-13-16)27-23(29)22-18(24)8-5-9-19(22)25;1-29-18(10-14(21(29)23)13-6-3-2-4-7-13)17-11-27-19(12-26-17)28-22(30)20-15(24)8-5-9-16(20)25;1-28-13-15(14-6-3-2-4-7-14)10-19(28)18-11-26-20(12-25-18)27-22(29)21-16(23)8-5-9-17(21)24;1-26-14(7-12(25-26)18-21-5-6-28-18)13-8-23-15(9-22-13)24-17(27)16-10(19)3-2-4-11(16)20/h2-13H,1H3,(H,27,28,30);3-13H,1-2H3,(H,26,27,30);2-14H,1H3,(H,26,27,29);2-12H,1H3,(H,27,28,30);2-13H,1H3,(H,26,27,29);2-9H,1H3,(H,23,24,27).
What are the key properties of N-[5-(5-bromo-1-methyl-4-phenylpyrrol-2-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(5-bromo-1-methyl-4-phenylpyrrol-2-yl)-2-pyridinyl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]-2-pyridinyl]benzamide;2,6-difluoro-N-[5-(1-methyl-4-phenylpyrrol-2-yl)pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-(1-methyl-4-phenylpyrrol-2-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]pyrazin-2-yl]benzamide?
N-[5-(5-bromo-1-methyl-4-phenylpyrrol-2-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(5-bromo-1-methyl-4-phenylpyrrol-2-yl)-2-pyridinyl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]-2-pyridinyl]benzamide;2,6-difluoro-N-[5-(1-methyl-4-phenylpyrrol-2-yl)pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-(1-methyl-4-phenylpyrrol-2-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]pyrazin-2-yl]benzamide has a molecular weight of 2520.21 g/mol, XLogP of 29.97, 24 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-bromo-1-methyl-4-phenylpyrrol-2-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(5-bromo-1-methyl-4-phenylpyrrol-2-yl)-2-pyridinyl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]-2-pyridinyl]benzamide;2,6-difluoro-N-[5-(1-methyl-4-phenylpyrrol-2-yl)pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-(1-methyl-4-phenylpyrrol-2-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]pyrazin-2-yl]benzamide is sourced from PubChem (CID 158819708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).