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

C143H127Cl2F12N31O13 — CID 161389465

IUPAC5-benzamido-2-methyl-N-[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]benzamide;2-chloro-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-chloro-N-[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]-4-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-methyl-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-methyl-N-[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
SMILESCc1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)cc1C(=O)Nc1cnc(Nc2cccc(OCCN3CCCC3)c2)nc1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1C(=O)Nc1cnc(Nc2cccnc2)nc1.Cc1ccc(NC(=O)c2ccccc2)cc1C(=O)Nc1cnc(Nc2cccc(OCCN3CCCC3)c2)nc1.O=C(Nc1ccc(C(=O)Nc2cnc(Nc3cccc(OCCN4CCCC4)c3)nc2)c(Cl)c1)c1cccc(C(F)(F)F)c1.O=C(Nc1ccc(Cl)c(C(=O)Nc2cnc(Nc3cccnc3)nc2)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C32H32F3N7O3.C31H28ClF3N6O3.C31H32N6O3.C25H19F3N6O2.C24H16ClF3N6O2/c1-21-10-11-25(41-31(44)40-23-7-4-6-22(16-23)32(33,34)35)18-28(21)29(43)38-26-19-36-30(37-20-26)39-24-8-5-9-27(17-24)45-15-14-42-12-2-3-13-42;32-27-17-23(38-28(42)20-5-3-6-21(15-20)31(33,34)35)9-10-26(27)29(43)39-24-18-36-30(37-19-24)40-22-7-4-8-25(16-22)44-14-13-41-11-1-2-12-41;1-22-12-13-25(34-29(38)23-8-3-2-4-9-23)19-28(22)30(39)35-26-20-32-31(33-21-26)36-24-10-7-11-27(18-24)40-17-16-37-14-5-6-15-37;1-15-7-8-18(32-22(35)16-4-2-5-17(10-16)25(26,27)28)11-21(15)23(36)33-20-13-30-24(31-14-20)34-19-6-3-9-29-12-19;25-20-7-6-16(32-21(35)14-3-1-4-15(9-14)24(26,27)28)10-19(20)22(36)33-18-12-30-23(31-13-18)34-17-5-2-8-29-11-17/h4-11,16-20H,2-3,12-15H2,1H3,(H,38,43)(H,36,37,39)(H2,40,41,44);3-10,15-19H,1-2,11-14H2,(H,38,42)(H,39,43)(H,36,37,40);2-4,7-13,18-21H,5-6,14-17H2,1H3,(H,34,38)(H,35,39)(H,32,33,36);2-14H,1H3,(H,32,35)(H,33,36)(H,30,31,34);1-13H,(H,32,35)(H,33,36)(H,30,31,34)
InChIKeyVSUFWYYBLCZDMZ-UHFFFAOYSA-N
MW2786.67 g/mol
LogP30.54
Rot. Bonds42

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

5-benzamido-2-methyl-N-[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]benzamide;2-chloro-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-chloro-N-[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]-4-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-methyl-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-methyl-N-[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide (PubChem CID 161389465) has the molecular formula C143H127Cl2F12N31O13 and a molecular weight of 2786.67 g/mol. Its IUPAC name is 5-benzamido-2-methyl-N-[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]benzamide;2-chloro-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-chloro-N-[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]-4-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-methyl-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-methyl-N-[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide.

Molecular Properties

Compound Name5-benzamido-2-methyl-N-[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]benzamide;2-chloro-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-chloro-N-[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]-4-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-methyl-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-methyl-N-[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
PubChem CID161389465
Molecular FormulaC143H127Cl2F12N31O13
Molecular Weight2786.67 g/mol
Exact Mass2783.94
IUPAC Name5-benzamido-2-methyl-N-[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]benzamide;2-chloro-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-chloro-N-[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]-4-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-methyl-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-methyl-N-[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
SMILESCc1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)cc1C(=O)Nc1cnc(Nc2cccc(OCCN3CCCC3)c2)nc1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1C(=O)Nc1cnc(Nc2cccnc2)nc1.Cc1ccc(NC(=O)c2ccccc2)cc1C(=O)Nc1cnc(Nc2cccc(OCCN3CCCC3)c2)nc1.O=C(Nc1ccc(C(=O)Nc2cnc(Nc3cccc(OCCN4CCCC4)c3)nc2)c(Cl)c1)c1cccc(C(F)(F)F)c1.O=C(Nc1ccc(Cl)c(C(=O)Nc2cnc(Nc3cccnc3)nc2)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C32H32F3N7O3.C31H28ClF3N6O3.C31H32N6O3.C25H19F3N6O2.C24H16ClF3N6O2/c1-21-10-11-25(41-31(44)40-23-7-4-6-22(16-23)32(33,34)35)18-28(21)29(43)38-26-19-36-30(37-20-26)39-24-8-5-9-27(17-24)45-15-14-42-12-2-3-13-42;32-27-17-23(38-28(42)20-5-3-6-21(15-20)31(33,34)35)9-10-26(27)29(43)39-24-18-36-30(37-19-24)40-22-7-4-8-25(16-22)44-14-13-41-11-1-2-12-41;1-22-12-13-25(34-29(38)23-8-3-2-4-9-23)19-28(22)30(39)35-26-20-32-31(33-21-26)36-24-10-7-11-27(18-24)40-17-16-37-14-5-6-15-37;1-15-7-8-18(32-22(35)16-4-2-5-17(10-16)25(26,27)28)11-21(15)23(36)33-20-13-30-24(31-14-20)34-19-6-3-9-29-12-19;25-20-7-6-16(32-21(35)14-3-1-4-15(9-14)24(26,27)28)10-19(20)22(36)33-18-12-30-23(31-13-18)34-17-5-2-8-29-11-17/h4-11,16-20H,2-3,12-15H2,1H3,(H,38,43)(H,36,37,39)(H2,40,41,44);3-10,15-19H,1-2,11-14H2,(H,38,42)(H,39,43)(H,36,37,40);2-4,7-13,18-21H,5-6,14-17H2,1H3,(H,34,38)(H,35,39)(H,32,33,36);2-14H,1H3,(H,32,35)(H,33,36)(H,30,31,34);1-13H,(H,32,35)(H,33,36)(H,30,31,34)
InChIKeyVSUFWYYBLCZDMZ-UHFFFAOYSA-N
XLogP30.54
TPSA555.27 Ų
H-Bond Donors16
H-Bond Acceptors33
Rotatable Bonds42
Heavy Atoms201
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002786.67
LogP ≤ 530.54
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1033

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide
CID 59652697
2-chloro-N-[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]-4-[[3-(trifluoromethyl)benzoyl]amino]benzamide
CID 59652712
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
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
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
N-[4-[2-[4-[4-[[5-(3-chlorophenyl)furan-2-yl]methyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[4-[4-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[4-[4-[(4-imidazol-1-ylphenyl)methyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide
CID 157737399
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
2-(4-Chloro-3-methylphenyl)-1-[4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]phenyl]ethanone;1-[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-5-methoxyphenyl]-2-[4-(2-methylpyrrol-1-yl)-3-(trifluoromethyl)phenyl]ethanone;1-[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methylphenyl]-2-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]ethanone;1-[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methylphenyl]-2-(3-methylphenyl)ethanone;2-[4-(2-methylimidazol-1-yl)-3-(trifluoromethyl)phenyl]-1-[4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]phenyl]ethanone;1-[4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]phenyl]-2-(3-methylphenyl)ethanone
CID 158143124
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

Frequently Asked Questions

What is the IUPAC name of 5-benzamido-2-methyl-N-[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]benzamide;2-chloro-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-chloro-N-[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]-4-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-methyl-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-methyl-N-[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide?
The IUPAC name of 5-benzamido-2-methyl-N-[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]benzamide;2-chloro-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-chloro-N-[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]-4-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-methyl-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-methyl-N-[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide (CID 161389465) is 5-benzamido-2-methyl-N-[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]benzamide;2-chloro-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-chloro-N-[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]-4-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-methyl-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-methyl-N-[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide.
What is the SMILES notation for 5-benzamido-2-methyl-N-[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]benzamide;2-chloro-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-chloro-N-[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]-4-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-methyl-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-methyl-N-[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide?
The canonical SMILES for 5-benzamido-2-methyl-N-[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]benzamide;2-chloro-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-chloro-N-[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]-4-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-methyl-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-methyl-N-[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide is Cc1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)cc1C(=O)Nc1cnc(Nc2cccc(OCCN3CCCC3)c2)nc1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1C(=O)Nc1cnc(Nc2cccnc2)nc1.Cc1ccc(NC(=O)c2ccccc2)cc1C(=O)Nc1cnc(Nc2cccc(OCCN3CCCC3)c2)nc1.O=C(Nc1ccc(C(=O)Nc2cnc(Nc3cccc(OCCN4CCCC4)c3)nc2)c(Cl)c1)c1cccc(C(F)(F)F)c1.O=C(Nc1ccc(Cl)c(C(=O)Nc2cnc(Nc3cccnc3)nc2)c1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-benzamido-2-methyl-N-[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]benzamide;2-chloro-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-chloro-N-[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]-4-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-methyl-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-methyl-N-[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide?
The InChIKey is VSUFWYYBLCZDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32F3N7O3.C31H28ClF3N6O3.C31H32N6O3.C25H19F3N6O2.C24H16ClF3N6O2/c1-21-10-11-25(41-31(44)40-23-7-4-6-22(16-23)32(33,34)35)18-28(21)29(43)38-26-19-36-30(37-20-26)39-24-8-5-9-27(17-24)45-15-14-42-12-2-3-13-42;32-27-17-23(38-28(42)20-5-3-6-21(15-20)31(33,34)35)9-10-26(27)29(43)39-24-18-36-30(37-19-24)40-22-7-4-8-25(16-22)44-14-13-41-11-1-2-12-41;1-22-12-13-25(34-29(38)23-8-3-2-4-9-23)19-28(22)30(39)35-26-20-32-31(33-21-26)36-24-10-7-11-27(18-24)40-17-16-37-14-5-6-15-37;1-15-7-8-18(32-22(35)16-4-2-5-17(10-16)25(26,27)28)11-21(15)23(36)33-20-13-30-24(31-14-20)34-19-6-3-9-29-12-19;25-20-7-6-16(32-21(35)14-3-1-4-15(9-14)24(26,27)28)10-19(20)22(36)33-18-12-30-23(31-13-18)34-17-5-2-8-29-11-17/h4-11,16-20H,2-3,12-15H2,1H3,(H,38,43)(H,36,37,39)(H2,40,41,44);3-10,15-19H,1-2,11-14H2,(H,38,42)(H,39,43)(H,36,37,40);2-4,7-13,18-21H,5-6,14-17H2,1H3,(H,34,38)(H,35,39)(H,32,33,36);2-14H,1H3,(H,32,35)(H,33,36)(H,30,31,34);1-13H,(H,32,35)(H,33,36)(H,30,31,34).
What are the key properties of 5-benzamido-2-methyl-N-[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]benzamide;2-chloro-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-chloro-N-[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]-4-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-methyl-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-methyl-N-[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide?
5-benzamido-2-methyl-N-[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]benzamide;2-chloro-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-chloro-N-[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]-4-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-methyl-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-methyl-N-[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide has a molecular weight of 2786.67 g/mol, XLogP of 30.54, 42 rotatable bonds, 16 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzamido-2-methyl-N-[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]benzamide;2-chloro-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-chloro-N-[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]-4-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-methyl-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-methyl-N-[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide is sourced from PubChem (CID 161389465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).