N-[6-amino-5-(1,3-diethylpyrazol-5-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(1-methylindol-2-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-tert-butylbenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-1,2-oxazole-5-carboxamide;N-[6-amino-5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-pyridinyl]-4-methylbenzamide

C116H102F14N30O7S — CID 161461881

IUPACN-[6-amino-5-(1,3-diethylpyrazol-5-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(1-methylindol-2-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-tert-butylbenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-1,2-oxazole-5-carboxamide;N-[6-amino-5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-pyridinyl]-4-methylbenzamide
SMILESCCc1cc(-c2ccc(NC(=O)c3ccc(C)cc3)nc2N)n(CC)n1.Cc1ccc(C(=O)Nc2ccc(-c3c(C(F)(F)F)nc4sccn34)c(N)n2)cc1.Cc1ccc(C(=O)Nc2ccc(-c3cc(C(F)(F)F)cn4ccnc34)c(N)n2)cc1.Cn1c(-c2ccc(NC(=O)c3c(F)cccc3F)nc2N)cc2ccccc21.Cn1nc(C(F)(F)F)cc1-c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)nc1N.Cn1nc(C(F)(F)F)cc1-c1ccc(NC(=O)c2ccno2)nc1N
InChIInChI=1S/C21H16F3N5O.C21H22F3N5O.C21H16F2N4O.C20H23N5O.C19H14F3N5OS.C14H11F3N6O2/c1-12-2-4-13(5-3-12)20(30)28-17-7-6-15(18(25)27-17)16-10-14(21(22,23)24)11-29-9-8-26-19(16)29;1-20(2,3)13-7-5-12(6-8-13)19(30)27-17-10-9-14(18(25)26-17)15-11-16(21(22,23)24)28-29(15)4;1-27-16-8-3-2-5-12(16)11-17(27)13-9-10-18(25-20(13)24)26-21(28)19-14(22)6-4-7-15(19)23;1-4-15-12-17(25(5-2)24-15)16-10-11-18(22-19(16)21)23-20(26)14-8-6-13(3)7-9-14;1-10-2-4-11(5-3-10)17(28)25-13-7-6-12(16(23)24-13)14-15(19(20,21)22)26-18-27(14)8-9-29-18;1-23-8(6-10(22-23)14(15,16)17)7-2-3-11(20-12(7)18)21-13(24)9-4-5-19-25-9/h2-11H,1H3,(H3,25,27,28,30);5-11H,1-4H3,(H3,25,26,27,30);2-11H,1H3,(H3,24,25,26,28);6-12H,4-5H2,1-3H3,(H3,21,22,23,26);2-9H,1H3,(H3,23,24,25,28);2-6H,1H3,(H3,18,20,21,24)
InChIKeyWBXPHKMBTWFTAS-UHFFFAOYSA-N
MW2326.33 g/mol
LogP24.16
Rot. Bonds20

About N-[6-amino-5-(1,3-diethylpyrazol-5-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(1-methylindol-2-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-tert-butylbenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-1,2-oxazole-5-carboxamide;N-[6-amino-5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-pyridinyl]-4-methylbenzamide

N-[6-amino-5-(1,3-diethylpyrazol-5-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(1-methylindol-2-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-tert-butylbenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-1,2-oxazole-5-carboxamide;N-[6-amino-5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-pyridinyl]-4-methylbenzamide (PubChem CID 161461881) has the molecular formula C116H102F14N30O7S and a molecular weight of 2326.33 g/mol. Its IUPAC name is N-[6-amino-5-(1,3-diethylpyrazol-5-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(1-methylindol-2-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-tert-butylbenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-1,2-oxazole-5-carboxamide;N-[6-amino-5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-pyridinyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[6-amino-5-(1,3-diethylpyrazol-5-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(1-methylindol-2-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-tert-butylbenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-1,2-oxazole-5-carboxamide;N-[6-amino-5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-pyridinyl]-4-methylbenzamide
PubChem CID161461881
Molecular FormulaC116H102F14N30O7S
Molecular Weight2326.33 g/mol
Exact Mass2324.80
IUPAC NameN-[6-amino-5-(1,3-diethylpyrazol-5-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(1-methylindol-2-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-tert-butylbenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-1,2-oxazole-5-carboxamide;N-[6-amino-5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-pyridinyl]-4-methylbenzamide
SMILESCCc1cc(-c2ccc(NC(=O)c3ccc(C)cc3)nc2N)n(CC)n1.Cc1ccc(C(=O)Nc2ccc(-c3c(C(F)(F)F)nc4sccn34)c(N)n2)cc1.Cc1ccc(C(=O)Nc2ccc(-c3cc(C(F)(F)F)cn4ccnc34)c(N)n2)cc1.Cn1c(-c2ccc(NC(=O)c3c(F)cccc3F)nc2N)cc2ccccc21.Cn1nc(C(F)(F)F)cc1-c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)nc1N.Cn1nc(C(F)(F)F)cc1-c1ccc(NC(=O)c2ccno2)nc1N
InChIInChI=1S/C21H16F3N5O.C21H22F3N5O.C21H16F2N4O.C20H23N5O.C19H14F3N5OS.C14H11F3N6O2/c1-12-2-4-13(5-3-12)20(30)28-17-7-6-15(18(25)27-17)16-10-14(21(22,23)24)11-29-9-8-26-19(16)29;1-20(2,3)13-7-5-12(6-8-13)19(30)27-17-10-9-14(18(25)26-17)15-11-16(21(22,23)24)28-29(15)4;1-27-16-8-3-2-5-12(16)11-17(27)13-9-10-18(25-20(13)24)26-21(28)19-14(22)6-4-7-15(19)23;1-4-15-12-17(25(5-2)24-15)16-10-11-18(22-19(16)21)23-20(26)14-8-6-13(3)7-9-14;1-10-2-4-11(5-3-10)17(28)25-13-7-6-12(16(23)24-13)14-15(19(20,21)22)26-18-27(14)8-9-29-18;1-23-8(6-10(22-23)14(15,16)17)7-2-3-11(20-12(7)18)21-13(24)9-4-5-19-25-9/h2-11H,1H3,(H3,25,27,28,30);5-11H,1-4H3,(H3,25,26,27,30);2-11H,1H3,(H3,24,25,26,28);6-12H,4-5H2,1-3H3,(H3,21,22,23,26);2-9H,1H3,(H3,23,24,25,28);2-6H,1H3,(H3,18,20,21,24)
InChIKeyWBXPHKMBTWFTAS-UHFFFAOYSA-N
XLogP24.16
TPSA527.08 Ų
H-Bond Donors12
H-Bond Acceptors32
Rotatable Bonds20
Heavy Atoms168
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002326.33
LogP ≤ 524.16
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1032

Analyze N-[6-amino-5-(1,3-diethylpyrazol-5-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(1-methylindol-2-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-tert-butylbenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-1,2-oxazole-5-carboxamide;N-[6-amino-5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-pyridinyl]-4-methylbenzamide with MolForge

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Related Compounds

N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[2-fluoro-4-[2-(indolizin-1-ylmethyl)pyrimidin-5-yl]phenyl]acetamide;N-[5-[1-(1,1-difluoroethyl)cyclopropyl]-1,2-oxazol-3-yl]-2-[3-fluoro-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide;2-[2-fluoro-4-[2-(imidazo[1,2-a]pyrazin-3-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-(2H-pyrrol-5-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-(1,3-thiazol-2-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide
CID 157070097
CID 157242465
CID 157242465
3-[2-[8-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]imidazo[1,2-b]pyridazin-3-yl]ethynyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide;3-[2-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]ethynyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide;3-[2-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]thieno[3,2-d]pyrimidin-7-yl]ethynyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide
CID 157281490
N-[6-amino-5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-chlorobenzamide;N-[6-amino-5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2,6-difluorobenzamide;N-[6-amino-5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-methylbenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-tert-butylbenzamide;N-[6-amino-5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-pyridinyl]-4-methylbenzamide
CID 157411317
N-[6-amino-5-(1,3-diethylpyrazol-5-yl)-2-pyridinyl]benzamide;N-[6-amino-5-(1,3-diethylpyrazol-5-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(1-methylindol-2-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-tert-butylbenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-1,2-oxazole-5-carboxamide
CID 157542243
N-[6-amino-5-(1,3-diethylpyrazol-5-yl)-2-pyridinyl]benzamide;N-[6-amino-5-(1,3-diethylpyrazol-5-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(7-fluoro-2-methylquinolin-8-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(1-methylindol-2-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[6-amino-5-(8-methylquinolin-5-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-1,2-oxazole-5-carboxamide
CID 160508142
N-(1,3-diphenylpyrazol-5-yl)-1H-imidazole-2-carboxamide;N-(1,3-diphenylpyrazol-5-yl)-2-methylpyrazole-3-carboxamide;N-(1,3-diphenylpyrazol-5-yl)-1,2-oxazole-5-carboxamide;N-(1,3-diphenylpyrazol-5-yl)-1,3-thiazole-5-carboxamide;N-(1,3-diphenylpyrazol-5-yl)-4-(trifluoromethyl)benzamide
CID 160842345
1-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;1-[2-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;2-[5-[3-(1H-indol-3-ylmethyl)heptanoyl]-1,3-thiazol-2-yl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one;3-(1H-indol-3-ylmethyl)-1-[2-(1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazol-5-yl]heptan-1-one
CID 160902476
N-[6-amino-5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-chlorobenzamide;N-[6-amino-5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-methylbenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-tert-butylbenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-1,2-oxazole-5-carboxamide;N-[6-amino-5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-pyridinyl]-4-methylbenzamide
CID 161068775
1-(1,3-Dimethylthieno[3,2-d]pyrazol-5-yl)-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanone;2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-1-(5-methyl-1,2-oxazol-3-yl)ethanone;2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-1-(5-methyl-2-phenyltriazol-4-yl)ethanone;2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-1-(4-methylthiadiazol-5-yl)ethanone;2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-1-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethanone
CID 158904465
(E)-1-[(15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaen-17-yl]-N-methoxybutan-1-imine;5-[(15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaen-17-yl]-3-methyl-1,2-oxazole;5-[(15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaen-17-yl]-1,2-oxazole;4-[(15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaen-17-yl]-1,3-thiazol-2-amine;(15S,19S)-15-ethyl-17-(7-methylimidazo[1,2-a]pyridin-2-yl)-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaene;(15S,19S)-15-ethyl-17-(1-methylpyrazol-3-yl)-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaene;(15S,19S)-15-ethyl-17-(2-methylpyrazol-3-yl)-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaene
CID 172960102

Frequently Asked Questions

What is the IUPAC name of N-[6-amino-5-(1,3-diethylpyrazol-5-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(1-methylindol-2-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-tert-butylbenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-1,2-oxazole-5-carboxamide;N-[6-amino-5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-pyridinyl]-4-methylbenzamide?
The IUPAC name of N-[6-amino-5-(1,3-diethylpyrazol-5-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(1-methylindol-2-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-tert-butylbenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-1,2-oxazole-5-carboxamide;N-[6-amino-5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-pyridinyl]-4-methylbenzamide (CID 161461881) is N-[6-amino-5-(1,3-diethylpyrazol-5-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(1-methylindol-2-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-tert-butylbenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-1,2-oxazole-5-carboxamide;N-[6-amino-5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-pyridinyl]-4-methylbenzamide.
What is the SMILES notation for N-[6-amino-5-(1,3-diethylpyrazol-5-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(1-methylindol-2-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-tert-butylbenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-1,2-oxazole-5-carboxamide;N-[6-amino-5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-pyridinyl]-4-methylbenzamide?
The canonical SMILES for N-[6-amino-5-(1,3-diethylpyrazol-5-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(1-methylindol-2-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-tert-butylbenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-1,2-oxazole-5-carboxamide;N-[6-amino-5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-pyridinyl]-4-methylbenzamide is CCc1cc(-c2ccc(NC(=O)c3ccc(C)cc3)nc2N)n(CC)n1.Cc1ccc(C(=O)Nc2ccc(-c3c(C(F)(F)F)nc4sccn34)c(N)n2)cc1.Cc1ccc(C(=O)Nc2ccc(-c3cc(C(F)(F)F)cn4ccnc34)c(N)n2)cc1.Cn1c(-c2ccc(NC(=O)c3c(F)cccc3F)nc2N)cc2ccccc21.Cn1nc(C(F)(F)F)cc1-c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)nc1N.Cn1nc(C(F)(F)F)cc1-c1ccc(NC(=O)c2ccno2)nc1N.
What is the InChIKey of N-[6-amino-5-(1,3-diethylpyrazol-5-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(1-methylindol-2-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-tert-butylbenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-1,2-oxazole-5-carboxamide;N-[6-amino-5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-pyridinyl]-4-methylbenzamide?
The InChIKey is WBXPHKMBTWFTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N5O.C21H22F3N5O.C21H16F2N4O.C20H23N5O.C19H14F3N5OS.C14H11F3N6O2/c1-12-2-4-13(5-3-12)20(30)28-17-7-6-15(18(25)27-17)16-10-14(21(22,23)24)11-29-9-8-26-19(16)29;1-20(2,3)13-7-5-12(6-8-13)19(30)27-17-10-9-14(18(25)26-17)15-11-16(21(22,23)24)28-29(15)4;1-27-16-8-3-2-5-12(16)11-17(27)13-9-10-18(25-20(13)24)26-21(28)19-14(22)6-4-7-15(19)23;1-4-15-12-17(25(5-2)24-15)16-10-11-18(22-19(16)21)23-20(26)14-8-6-13(3)7-9-14;1-10-2-4-11(5-3-10)17(28)25-13-7-6-12(16(23)24-13)14-15(19(20,21)22)26-18-27(14)8-9-29-18;1-23-8(6-10(22-23)14(15,16)17)7-2-3-11(20-12(7)18)21-13(24)9-4-5-19-25-9/h2-11H,1H3,(H3,25,27,28,30);5-11H,1-4H3,(H3,25,26,27,30);2-11H,1H3,(H3,24,25,26,28);6-12H,4-5H2,1-3H3,(H3,21,22,23,26);2-9H,1H3,(H3,23,24,25,28);2-6H,1H3,(H3,18,20,21,24).
What are the key properties of N-[6-amino-5-(1,3-diethylpyrazol-5-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(1-methylindol-2-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-tert-butylbenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-1,2-oxazole-5-carboxamide;N-[6-amino-5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-pyridinyl]-4-methylbenzamide?
N-[6-amino-5-(1,3-diethylpyrazol-5-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(1-methylindol-2-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-tert-butylbenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-1,2-oxazole-5-carboxamide;N-[6-amino-5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-pyridinyl]-4-methylbenzamide has a molecular weight of 2326.33 g/mol, XLogP of 24.16, 20 rotatable bonds, 12 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-amino-5-(1,3-diethylpyrazol-5-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(1-methylindol-2-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-tert-butylbenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-1,2-oxazole-5-carboxamide;N-[6-amino-5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-pyridinyl]-4-methylbenzamide is sourced from PubChem (CID 161461881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).