2-chloro-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide;2-chloro-N-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide;5-(isoquinolin-1-ylamino)-2-methyl-N-[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]benzamide;2-methyl-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide;N-[4-methyl-3-[[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]amino]phenyl]-3-(trifluoromethyl)benzamide

C144H130Cl2F12N34O11 — CID 157305937

IUPAC2-chloro-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide;2-chloro-N-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide;5-(isoquinolin-1-ylamino)-2-methyl-N-[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]benzamide;2-methyl-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide;N-[4-methyl-3-[[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]amino]phenyl]-3-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)cc1C(=O)Nc1cnc(Nc2cccnc2)nc1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1Nc1cnc(Nc2cccc(OCCN3CCCC3)c2)nc1.Cc1ccc(Nc2nccc3ccccc23)cc1C(=O)Nc1cnc(Nc2cccc(OCCN3CCCC3)c2)nc1.O=C(Nc1cccc(C(F)(F)F)c1)Nc1ccc(Cl)c(C(=O)Nc2cnc(Nc3ccc(OCCN4CCCC4)cc3)nc2)c1.O=C(Nc1cccc(C(F)(F)F)c1)Nc1ccc(Cl)c(C(=O)Nc2cnc(Nc3cccnc3)nc2)c1
InChIInChI=1S/C33H33N7O2.C31H29ClF3N7O3.C31H31F3N6O2.C25H20F3N7O2.C24H17ClF3N7O2/c1-23-11-12-26(37-31-29-10-3-2-7-24(29)13-14-34-31)20-30(23)32(41)38-27-21-35-33(36-22-27)39-25-8-6-9-28(19-25)42-18-17-40-15-4-5-16-40;32-27-11-8-23(41-30(44)40-22-5-3-4-20(16-22)31(33,34)35)17-26(27)28(43)38-24-18-36-29(37-19-24)39-21-6-9-25(10-7-21)45-15-14-42-12-1-2-13-42;1-21-10-11-25(38-29(41)22-6-4-7-23(16-22)31(32,33)34)18-28(21)37-26-19-35-30(36-20-26)39-24-8-5-9-27(17-24)42-15-14-40-12-2-3-13-40;1-15-7-8-18(35-24(37)34-17-5-2-4-16(10-17)25(26,27)28)11-21(15)22(36)32-20-13-30-23(31-14-20)33-19-6-3-9-29-12-19;25-20-7-6-16(35-23(37)34-15-4-1-3-14(9-15)24(26,27)28)10-19(20)21(36)32-18-12-30-22(31-13-18)33-17-5-2-8-29-11-17/h2-3,6-14,19-22H,4-5,15-18H2,1H3,(H,34,37)(H,38,41)(H,35,36,39);3-11,16-19H,1-2,12-15H2,(H,38,43)(H,36,37,39)(H2,40,41,44);4-11,16-20,37H,2-3,12-15H2,1H3,(H,38,41)(H,35,36,39);2-14H,1H3,(H,32,36)(H,30,31,33)(H2,34,35,37);1-13H,(H,32,36)(H,30,31,33)(H2,34,35,37)
InChIKeyBCLVNPBMASZGQH-UHFFFAOYSA-N
MW2811.73 g/mol
LogP32.85
Rot. Bonds42

About 2-chloro-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide;2-chloro-N-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide;5-(isoquinolin-1-ylamino)-2-methyl-N-[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]benzamide;2-methyl-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide;N-[4-methyl-3-[[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]amino]phenyl]-3-(trifluoromethyl)benzamide

2-chloro-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide;2-chloro-N-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide;5-(isoquinolin-1-ylamino)-2-methyl-N-[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]benzamide;2-methyl-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide;N-[4-methyl-3-[[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]amino]phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 157305937) has the molecular formula C144H130Cl2F12N34O11 and a molecular weight of 2811.73 g/mol. Its IUPAC name is 2-chloro-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide;2-chloro-N-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide;5-(isoquinolin-1-ylamino)-2-methyl-N-[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]benzamide;2-methyl-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide;N-[4-methyl-3-[[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]amino]phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide;2-chloro-N-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide;5-(isoquinolin-1-ylamino)-2-methyl-N-[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]benzamide;2-methyl-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide;N-[4-methyl-3-[[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]amino]phenyl]-3-(trifluoromethyl)benzamide
PubChem CID157305937
Molecular FormulaC144H130Cl2F12N34O11
Molecular Weight2811.73 g/mol
Exact Mass2808.98
IUPAC Name2-chloro-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide;2-chloro-N-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide;5-(isoquinolin-1-ylamino)-2-methyl-N-[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]benzamide;2-methyl-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide;N-[4-methyl-3-[[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]amino]phenyl]-3-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)cc1C(=O)Nc1cnc(Nc2cccnc2)nc1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1Nc1cnc(Nc2cccc(OCCN3CCCC3)c2)nc1.Cc1ccc(Nc2nccc3ccccc23)cc1C(=O)Nc1cnc(Nc2cccc(OCCN3CCCC3)c2)nc1.O=C(Nc1cccc(C(F)(F)F)c1)Nc1ccc(Cl)c(C(=O)Nc2cnc(Nc3ccc(OCCN4CCCC4)cc3)nc2)c1.O=C(Nc1cccc(C(F)(F)F)c1)Nc1ccc(Cl)c(C(=O)Nc2cnc(Nc3cccnc3)nc2)c1
InChIInChI=1S/C33H33N7O2.C31H29ClF3N7O3.C31H31F3N6O2.C25H20F3N7O2.C24H17ClF3N7O2/c1-23-11-12-26(37-31-29-10-3-2-7-24(29)13-14-34-31)20-30(23)32(41)38-27-21-35-33(36-22-27)39-25-8-6-9-28(19-25)42-18-17-40-15-4-5-16-40;32-27-11-8-23(41-30(44)40-22-5-3-4-20(16-22)31(33,34)35)17-26(27)28(43)38-24-18-36-29(37-19-24)39-21-6-9-25(10-7-21)45-15-14-42-12-1-2-13-42;1-21-10-11-25(38-29(41)22-6-4-7-23(16-22)31(32,33)34)18-28(21)37-26-19-35-30(36-20-26)39-24-8-5-9-27(17-24)42-15-14-40-12-2-3-13-40;1-15-7-8-18(35-24(37)34-17-5-2-4-16(10-17)25(26,27)28)11-21(15)22(36)32-20-13-30-23(31-14-20)33-19-6-3-9-29-12-19;25-20-7-6-16(35-23(37)34-15-4-1-3-14(9-15)24(26,27)28)10-19(20)21(36)32-18-12-30-22(31-13-18)33-17-5-2-8-29-11-17/h2-3,6-14,19-22H,4-5,15-18H2,1H3,(H,34,37)(H,38,41)(H,35,36,39);3-11,16-19H,1-2,12-15H2,(H,38,43)(H,36,37,39)(H2,40,41,44);4-11,16-20,37H,2-3,12-15H2,1H3,(H,38,41)(H,35,36,39);2-14H,1H3,(H,32,36)(H,30,31,33)(H2,34,35,37);1-13H,(H,32,36)(H,30,31,33)(H2,34,35,37)
InChIKeyBCLVNPBMASZGQH-UHFFFAOYSA-N
XLogP32.85
TPSA558.08 Ų
H-Bond Donors18
H-Bond Acceptors34
Rotatable Bonds42
Heavy Atoms203
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002811.73
LogP ≤ 532.85
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1034

Analyze 2-chloro-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide;2-chloro-N-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide;5-(isoquinolin-1-ylamino)-2-methyl-N-[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]benzamide;2-methyl-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide;N-[4-methyl-3-[[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]amino]phenyl]-3-(trifluoromethyl)benzamide with MolForge

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Related Compounds

4-chloro-N-[3-fluoro-4-(3-imidazol-1-ylquinoxalin-6-yl)oxyphenyl]-3-(trifluoromethyl)benzamide;4-chloro-N-[3-fluoro-4-(3-pyridin-3-ylquinoxalin-6-yl)oxyphenyl]-3-(trifluoromethyl)benzamide;N-[2,3-difluoro-4-[3-(6-methyl-3-pyridinyl)quinoxalin-6-yl]oxyphenyl]-3-fluorobenzamide
CID 89719630
4-chloro-N-[4-(3-imidazol-1-ylquinoxalin-6-yl)oxyphenyl]-3-(trifluoromethyl)benzamide;4-chloro-N-[4-[3-(4-methylimidazol-1-yl)quinoxalin-6-yl]oxyphenyl]-3-(trifluoromethyl)benzamide;4-chloro-N-[4-(3-pyridin-3-ylquinoxalin-6-yl)oxyphenyl]-3-(trifluoromethyl)benzamide
CID 89723245
2-chloro-4-[[3-[2-[4-chloro-3-[[2-[[5-(2-pyrrolidin-1-ylethoxy)cyclohexa-2,4-dien-1-yl]amino]pyrimidin-5-yl]carbamoyl]anilino]pyridin-4-yl]-5-(trifluoromethyl)benzoyl]amino]-N-[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]benzamide
CID 143609659
1-[3-[(2-anilino-5-methylpyrimidin-4-yl)amino]phenyl]-3-methylbut-2-en-1-one;N-[[4-[(2-anilino-5-methylpyrimidin-4-yl)amino]phenyl]methyl]prop-2-enamide;N-[2-chloro-5-[[2-(3-methoxyanilino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[2-[3-[2-(dimethylamino)ethoxy]anilino]-5-fluoropyrimidin-4-yl]amino]phenyl]prop-2-enamide;1-[4-[[2-(3-methoxyanilino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]but-3-en-2-one;N-[[4-[[2-(3-methoxyanilino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]methyl]prop-2-enamide;5-[3-[[2-(3-methoxyanilino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]pent-1-en-3-one;N-[3-[[2-(3-methoxyanilino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide
CID 157090923
2-chloro-5-[(3-fluorobenzoyl)amino]-N-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]benzamide;N-[4-chloro-3-[[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]carbamoyl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide;2-chloro-N-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-chloro-N-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]-5-[[4-(trifluoromethyl)benzoyl]amino]benzamide;2-methyl-N-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide
CID 157187037
1-[4-[(2-anilino-5-fluoropyrimidin-4-yl)amino]phenyl]-3-methylbut-2-en-1-one;5-[3-[(2-anilino-5-methylpyrimidin-4-yl)amino]phenyl]pent-1-en-3-one;1-[3-[[2-[3-[2-(dimethylamino)ethoxy]anilino]-5-fluoropyrimidin-4-yl]amino]phenyl]-3-methylbut-2-en-1-one;N-[3-[[5-fluoro-2-[3-(3-imidazol-1-ylpropoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;1-[3-[[5-fluoro-2-[3-(trifluoromethoxy)anilino]pyrimidin-4-yl]amino]phenyl]-2-methylprop-2-en-1-one
CID 157260814
N-(2-aminopyrimidin-5-yl)-2-chloro-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-chloro-N-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]-5-[[4-(trifluoromethyl)benzoyl]amino]benzamide;2-chloro-N-[2-(2-pyrrolidin-1-ylethylamino)pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-chloro-N-[2-[3-(2-pyrrolidin-1-ylethylsulfamoyl)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-methyl-N-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide
CID 157721231
2-chloro-N-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide;2-methyl-5-(phenylcarbamoylamino)-N-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]benzamide
CID 157925196
1-[3-[(4-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methylamino]-5-methoxyphenyl]-2-(3-methylphenyl)ethanone;N-[3-[(4-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methylamino]-4-methylphenyl]-4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzamide;1-[3-[(4-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methylamino]-4-methylphenyl]-2-(3-methylphenyl)ethanone;1-[3-[(4-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methylamino]-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone
CID 157996213
2-chloro-N-[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]-5-[(2,2,2-trifluoroacetyl)amino]benzamide;2-chloro-N-[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-methyl-N-[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]-5-[(2,2,2-trifluoroacetyl)amino]benzamide;2,4,6-trifluoro-N-[4-methyl-3-[[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]carbamoyl]phenyl]benzamide
CID 158571497
N-(2,4-dichloro-5-methoxyphenyl)-6-methoxy-3-methyl-7-[3-(4-methylpiperazin-1-yl)propoxy]quinolin-4-amine;3-methyl-5-(4-methylimidazol-1-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-[(4-methylpiperazin-1-yl)methyl]-N-[6-methyl-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[(4-pyrimidin-5-ylpyrimidin-2-yl)amino]phenyl]-4-[[(3S)-3-methylpyrrolidin-1-yl]methyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[(5-pyrimidin-2-ylpyrimidin-2-yl)amino]phenyl]-4-[[(3S)-3-methylpyrrolidin-1-yl]methyl]-3-(trifluoromethyl)benzamide
CID 159001118
1-(2-Chloro-3-methylphenyl)piperazine;1-(4-chloro-3-methylphenyl)piperazine;1-[3-(1,1-difluoroethyl)phenyl]piperazine;1-[5-(1,1-difluoroethyl)-2-pyridinyl]piperazine;1-(2,3-dihydro-1-benzofuran-6-yl)piperazine;1-(2,4-dimethylphenyl)piperazine;1-(3,4-dimethylphenyl)piperazine;1-(2-ethyl-4-methoxyphenyl)piperazine;1,5,6,7,8,9-hexahydropyrazolo[1,2-a]diazepine;1-(3-methoxy-4-methylphenyl)piperazine;1-(4-methylphenyl)piperazine;1-methylsulfonylpiperazine;1-[4-methyl-3-(trifluoromethyl)phenyl]piperazine;1-(2-phenoxyethyl)pyrrolidine;1-(4-piperazin-1-ylphenyl)ethanone;2-piperazin-1-ylpyrimidine;3-pyrrolidin-1-ylpyridine
CID 159201692

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide;2-chloro-N-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide;5-(isoquinolin-1-ylamino)-2-methyl-N-[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]benzamide;2-methyl-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide;N-[4-methyl-3-[[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]amino]phenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of 2-chloro-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide;2-chloro-N-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide;5-(isoquinolin-1-ylamino)-2-methyl-N-[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]benzamide;2-methyl-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide;N-[4-methyl-3-[[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]amino]phenyl]-3-(trifluoromethyl)benzamide (CID 157305937) is 2-chloro-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide;2-chloro-N-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide;5-(isoquinolin-1-ylamino)-2-methyl-N-[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]benzamide;2-methyl-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide;N-[4-methyl-3-[[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]amino]phenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-chloro-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide;2-chloro-N-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide;5-(isoquinolin-1-ylamino)-2-methyl-N-[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]benzamide;2-methyl-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide;N-[4-methyl-3-[[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]amino]phenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for 2-chloro-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide;2-chloro-N-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide;5-(isoquinolin-1-ylamino)-2-methyl-N-[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]benzamide;2-methyl-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide;N-[4-methyl-3-[[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]amino]phenyl]-3-(trifluoromethyl)benzamide is Cc1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)cc1C(=O)Nc1cnc(Nc2cccnc2)nc1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1Nc1cnc(Nc2cccc(OCCN3CCCC3)c2)nc1.Cc1ccc(Nc2nccc3ccccc23)cc1C(=O)Nc1cnc(Nc2cccc(OCCN3CCCC3)c2)nc1.O=C(Nc1cccc(C(F)(F)F)c1)Nc1ccc(Cl)c(C(=O)Nc2cnc(Nc3ccc(OCCN4CCCC4)cc3)nc2)c1.O=C(Nc1cccc(C(F)(F)F)c1)Nc1ccc(Cl)c(C(=O)Nc2cnc(Nc3cccnc3)nc2)c1.
What is the InChIKey of 2-chloro-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide;2-chloro-N-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide;5-(isoquinolin-1-ylamino)-2-methyl-N-[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]benzamide;2-methyl-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide;N-[4-methyl-3-[[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]amino]phenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is BCLVNPBMASZGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33N7O2.C31H29ClF3N7O3.C31H31F3N6O2.C25H20F3N7O2.C24H17ClF3N7O2/c1-23-11-12-26(37-31-29-10-3-2-7-24(29)13-14-34-31)20-30(23)32(41)38-27-21-35-33(36-22-27)39-25-8-6-9-28(19-25)42-18-17-40-15-4-5-16-40;32-27-11-8-23(41-30(44)40-22-5-3-4-20(16-22)31(33,34)35)17-26(27)28(43)38-24-18-36-29(37-19-24)39-21-6-9-25(10-7-21)45-15-14-42-12-1-2-13-42;1-21-10-11-25(38-29(41)22-6-4-7-23(16-22)31(32,33)34)18-28(21)37-26-19-35-30(36-20-26)39-24-8-5-9-27(17-24)42-15-14-40-12-2-3-13-40;1-15-7-8-18(35-24(37)34-17-5-2-4-16(10-17)25(26,27)28)11-21(15)22(36)32-20-13-30-23(31-14-20)33-19-6-3-9-29-12-19;25-20-7-6-16(35-23(37)34-15-4-1-3-14(9-15)24(26,27)28)10-19(20)21(36)32-18-12-30-22(31-13-18)33-17-5-2-8-29-11-17/h2-3,6-14,19-22H,4-5,15-18H2,1H3,(H,34,37)(H,38,41)(H,35,36,39);3-11,16-19H,1-2,12-15H2,(H,38,43)(H,36,37,39)(H2,40,41,44);4-11,16-20,37H,2-3,12-15H2,1H3,(H,38,41)(H,35,36,39);2-14H,1H3,(H,32,36)(H,30,31,33)(H2,34,35,37);1-13H,(H,32,36)(H,30,31,33)(H2,34,35,37).
What are the key properties of 2-chloro-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide;2-chloro-N-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide;5-(isoquinolin-1-ylamino)-2-methyl-N-[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]benzamide;2-methyl-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide;N-[4-methyl-3-[[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]amino]phenyl]-3-(trifluoromethyl)benzamide?
2-chloro-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide;2-chloro-N-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide;5-(isoquinolin-1-ylamino)-2-methyl-N-[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]benzamide;2-methyl-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide;N-[4-methyl-3-[[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]amino]phenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 2811.73 g/mol, XLogP of 32.85, 42 rotatable bonds, 18 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide;2-chloro-N-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide;5-(isoquinolin-1-ylamino)-2-methyl-N-[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]benzamide;2-methyl-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide;N-[4-methyl-3-[[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]amino]phenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 157305937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).