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

C102H70F19N19O5 — CID 159408728

IUPAC2,6-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
SMILESCc1ccccc1C(=O)Nc1ccc(-c2cc(-c3c(F)cccc3F)nn2C)cn1.Cn1cc(C(F)(F)F)cc1-c1ccc(NC(=O)c2c(F)cccc2F)nc1.Cn1cc(C(F)(F)F)cc1-c1cnc(NC(=O)c2c(F)cccc2F)cn1.Cn1nc(-c2c(F)cccc2F)cc1-c1ccc(NC(=O)c2c(F)cccc2F)nc1.Cn1nc(-c2c(F)cccc2F)cc1-c1ccc(NC(=O)c2ccccc2F)nc1
InChIInChI=1S/C23H18F2N4O.C22H14F4N4O.C22H15F3N4O.C18H12F5N3O.C17H11F5N4O/c1-14-6-3-4-7-16(14)23(30)27-21-11-10-15(13-26-21)20-12-19(28-29(20)2)22-17(24)8-5-9-18(22)25;1-30-18(10-17(29-30)20-13(23)4-2-5-14(20)24)12-8-9-19(27-11-12)28-22(31)21-15(25)6-3-7-16(21)26;1-29-19(11-18(28-29)21-16(24)7-4-8-17(21)25)13-9-10-20(26-12-13)27-22(30)14-5-2-3-6-15(14)23;1-26-9-11(18(21,22)23)7-14(26)10-5-6-15(24-8-10)25-17(27)16-12(19)3-2-4-13(16)20;1-26-8-9(17(20,21)22)5-13(26)12-6-24-14(7-23-12)25-16(27)15-10(18)3-2-4-11(15)19/h3-13H,1-2H3,(H,26,27,30);2-11H,1H3,(H,27,28,31);2-12H,1H3,(H,26,27,30);2-9H,1H3,(H,24,25,27);2-8H,1H3,(H,24,25,27)
InChIKeyLOHLYPZIJAAIDE-UHFFFAOYSA-N
MW2002.77 g/mol
LogP23.43
Rot. Bonds18

About 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

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 (PubChem CID 159408728) has the molecular formula C102H70F19N19O5 and a molecular weight of 2002.77 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2,6-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
PubChem CID159408728
Molecular FormulaC102H70F19N19O5
Molecular Weight2002.77 g/mol
Exact Mass2001.55
IUPAC Name2,6-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
SMILESCc1ccccc1C(=O)Nc1ccc(-c2cc(-c3c(F)cccc3F)nn2C)cn1.Cn1cc(C(F)(F)F)cc1-c1ccc(NC(=O)c2c(F)cccc2F)nc1.Cn1cc(C(F)(F)F)cc1-c1cnc(NC(=O)c2c(F)cccc2F)cn1.Cn1nc(-c2c(F)cccc2F)cc1-c1ccc(NC(=O)c2c(F)cccc2F)nc1.Cn1nc(-c2c(F)cccc2F)cc1-c1ccc(NC(=O)c2ccccc2F)nc1
InChIInChI=1S/C23H18F2N4O.C22H14F4N4O.C22H15F3N4O.C18H12F5N3O.C17H11F5N4O/c1-14-6-3-4-7-16(14)23(30)27-21-11-10-15(13-26-21)20-12-19(28-29(20)2)22-17(24)8-5-9-18(22)25;1-30-18(10-17(29-30)20-13(23)4-2-5-14(20)24)12-8-9-19(27-11-12)28-22(31)21-15(25)6-3-7-16(21)26;1-29-19(11-18(28-29)21-16(24)7-4-8-17(21)25)13-9-10-20(26-12-13)27-22(30)14-5-2-3-6-15(14)23;1-26-9-11(18(21,22)23)7-14(26)10-5-6-15(24-8-10)25-17(27)16-12(19)3-2-4-13(16)20;1-26-8-9(17(20,21)22)5-13(26)12-6-24-14(7-23-12)25-16(27)15-10(18)3-2-4-11(15)19/h3-13H,1-2H3,(H,26,27,30);2-11H,1H3,(H,27,28,31);2-12H,1H3,(H,26,27,30);2-9H,1H3,(H,24,25,27);2-8H,1H3,(H,24,25,27)
InChIKeyLOHLYPZIJAAIDE-UHFFFAOYSA-N
XLogP23.43
TPSA286.16 Ų
H-Bond Donors5
H-Bond Acceptors19
Rotatable Bonds18
Heavy Atoms145
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002002.77
LogP ≤ 523.43
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1019

Analyze 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 with MolForge

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Related Compounds

3-cyano-N-[2-methyl-6-[2-[(1-methylpyrazol-3-yl)amino]imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]benzamide;3,3,3-trifluoro-N-[2-methyl-6-[2-[(1-methylpyrazol-3-yl)-(3,3,3-trifluoropropanoyl)amino]imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]propanamide
CID 87152389
bis[(1S)-1-[5-[4-[2-fluoro-4-[(3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]carbamoyl]phenyl]-1-methylpyrazol-5-yl]tetrazol-1-yl]ethyl] carbonate
CID 121268232
4-[8-amino-7-[5-[8-amino-1-[4-(pyridin-2-ylcarbamoyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-[2-(trifluoromethyl)prop-2-enoyl]pyrrolidin-3-yl]-3-(1-but-2-enoylpyrrolidin-2-yl)imidazo[1,5-a]pyrazin-7-ium-1-yl]-N-pyridin-2-ylbenzamide
CID 123398222
[3-Methyl-4-[[4-[4-methyl-2-[3-methyl-2-[[[5-(trifluoromethyl)pyridin-2-yl]amino]methyl]piperidine-1-carbonyl]phenyl]pyrazol-1-yl]methyl]-2-[[[5-(trifluoromethyl)pyridin-2-yl]amino]methyl]piperidin-1-yl]-(5-methyl-2-pyridin-3-ylphenyl)methanone
CID 123596889
[5-Methyl-2-[1-[2-[1-(5-methyl-2-pyrazin-2-ylbenzoyl)-2-[[[5-(trifluoromethyl)pyridin-2-yl]amino]methyl]piperidin-3-yl]ethyl]pyrazol-3-yl]phenyl]-[3-methyl-2-[[[5-(trifluoromethyl)pyridin-2-yl]amino]methyl]piperidin-1-yl]methanone
CID 123736718
N-[3-[2-[1-[2-[2-[2-[3,5-dimethyl-1-[[2-(2-morpholin-4-yl-6-piperazin-1-yl-4-pyridinyl)-4-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]methyl]pyrazol-4-yl]-6-morpholin-4-yl-4-pyridinyl]-4-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]ethyl]pyrazol-4-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 130425732
2-fluoro-N-[5-[5-[4-[5-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-1,2-dimethylimidazol-4-yl]phenyl]pyrimidin-2-yl]-2-(4-fluorophenyl)pyrazol-3-yl]-5-(1H-pyrazol-3-yl)-4-(trifluoromethyl)benzamide
CID 137091868
1-N-[[4-[5-[1-[6-[(4-tert-butylbenzoyl)amino]-3-pyridinyl]-5-(trifluoromethyl)pyrazol-3-yl]-3-pyridinyl]cyclohexyl]methyl]-3-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide
CID 143484182
ethane;[5-methyl-2-(1-methylpyrazol-3-yl)phenyl]-[(2S,3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone;(5-methyl-2-pyrazin-2-ylphenyl)-[(2S,3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone
CID 144903001
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CID 144903490
N-[5-[4-fluoro-7-[1-[2-[4-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-benzimidazol-4-yl]piperidin-3-yl]-3-(4-piperidin-1-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]benzamide
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N-[5-[5-fluoro-8-[4-[2-[4-fluoro-1-methyl-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]-2-pyridinyl]-2-methyl-4-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1,2-dihydro-1,7-naphthyridin-6-yl]-3-pyridinyl]benzamide
CID 145033903

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccccc1C(=O)Nc1ccc(-c2cc(-c3c(F)cccc3F)nn2C)cn1.Cn1cc(C(F)(F)F)cc1-c1ccc(NC(=O)c2c(F)cccc2F)nc1.Cn1cc(C(F)(F)F)cc1-c1cnc(NC(=O)c2c(F)cccc2F)cn1.Cn1nc(-c2c(F)cccc2F)cc1-c1ccc(NC(=O)c2c(F)cccc2F)nc1.Cn1nc(-c2c(F)cccc2F)cc1-c1ccc(NC(=O)c2ccccc2F)nc1.
What is the InChIKey of 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?
The InChIKey is LOHLYPZIJAAIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F2N4O.C22H14F4N4O.C22H15F3N4O.C18H12F5N3O.C17H11F5N4O/c1-14-6-3-4-7-16(14)23(30)27-21-11-10-15(13-26-21)20-12-19(28-29(20)2)22-17(24)8-5-9-18(22)25;1-30-18(10-17(29-30)20-13(23)4-2-5-14(20)24)12-8-9-19(27-11-12)28-22(31)21-15(25)6-3-7-16(21)26;1-29-19(11-18(28-29)21-16(24)7-4-8-17(21)25)13-9-10-20(26-12-13)27-22(30)14-5-2-3-6-15(14)23;1-26-9-11(18(21,22)23)7-14(26)10-5-6-15(24-8-10)25-17(27)16-12(19)3-2-4-13(16)20;1-26-8-9(17(20,21)22)5-13(26)12-6-24-14(7-23-12)25-16(27)15-10(18)3-2-4-11(15)19/h3-13H,1-2H3,(H,26,27,30);2-11H,1H3,(H,27,28,31);2-12H,1H3,(H,26,27,30);2-9H,1H3,(H,24,25,27);2-8H,1H3,(H,24,25,27).
What are the key properties of 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?
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 has a molecular weight of 2002.77 g/mol, XLogP of 23.43, 18 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159408728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).