5-acetamido-2-chloro-N-[2-(4-piperidin-4-ylsulfonylanilino)pyrimidin-5-yl]benzamide;N-(2-anilinopyrimidin-5-yl)-2-chloro-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-chloro-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-(quinolin-2-ylamino)benzamide;2-chloro-N-[2-[4-(3-pyrrolidin-1-ylpropyl)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-methyl-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]benzamide

C132H111Cl4F9N30O11S — CID 159913680

IUPAC5-acetamido-2-chloro-N-[2-(4-piperidin-4-ylsulfonylanilino)pyrimidin-5-yl]benzamide;N-(2-anilinopyrimidin-5-yl)-2-chloro-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-chloro-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-(quinolin-2-ylamino)benzamide;2-chloro-N-[2-[4-(3-pyrrolidin-1-ylpropyl)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-methyl-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]benzamide
SMILESCC(=O)Nc1ccc(Cl)c(C(=O)Nc2cnc(Nc3ccc(S(=O)(=O)C4CCNCC4)cc3)nc2)c1.Cc1ccc(NC(=O)Cc2cccc(C(F)(F)F)c2)cc1C(=O)Nc1cnc(Nc2cccnc2)nc1.O=C(Nc1ccc(Cl)c(C(=O)Nc2cnc(Nc3ccc(CCCN4CCCC4)cc3)nc2)c1)c1cccc(C(F)(F)F)c1.O=C(Nc1ccc(Cl)c(C(=O)Nc2cnc(Nc3ccccc3)nc2)c1)c1cccc(C(F)(F)F)c1.O=C(Nc1cnc(Nc2cccnc2)nc1)c1cc(Nc2ccc3ccccc3n2)ccc1Cl
InChIInChI=1S/C32H30ClF3N6O2.C26H21F3N6O2.C25H17ClF3N5O2.C25H18ClN7O.C24H25ClN6O4S/c33-28-13-12-25(39-29(43)22-6-3-7-23(17-22)32(34,35)36)18-27(28)30(44)40-26-19-37-31(38-20-26)41-24-10-8-21(9-11-24)5-4-16-42-14-1-2-15-42;1-16-7-8-19(33-23(36)11-17-4-2-5-18(10-17)26(27,28)29)12-22(16)24(37)34-21-14-31-25(32-15-21)35-20-6-3-9-30-13-20;26-21-10-9-18(32-22(35)15-5-4-6-16(11-15)25(27,28)29)12-20(21)23(36)33-19-13-30-24(31-14-19)34-17-7-2-1-3-8-17;26-21-9-8-17(30-23-10-7-16-4-1-2-6-22(16)33-23)12-20(21)24(34)31-19-14-28-25(29-15-19)32-18-5-3-11-27-13-18;1-15(32)29-17-4-7-22(25)21(12-17)23(33)30-18-13-27-24(28-14-18)31-16-2-5-19(6-3-16)36(34,35)20-8-10-26-11-9-20/h3,6-13,17-20H,1-2,4-5,14-16H2,(H,39,43)(H,40,44)(H,37,38,41);2-10,12-15H,11H2,1H3,(H,33,36)(H,34,37)(H,31,32,35);1-14H,(H,32,35)(H,33,36)(H,30,31,34);1-15H,(H,30,33)(H,31,34)(H,28,29,32);2-7,12-14,20,26H,8-11H2,1H3,(H,29,32)(H,30,33)(H,27,28,31)
InChIKeyNXMRHHXKAWRJGN-UHFFFAOYSA-N
MW2638.40 g/mol
LogP28.62
Rot. Bonds36

About 5-acetamido-2-chloro-N-[2-(4-piperidin-4-ylsulfonylanilino)pyrimidin-5-yl]benzamide;N-(2-anilinopyrimidin-5-yl)-2-chloro-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-chloro-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-(quinolin-2-ylamino)benzamide;2-chloro-N-[2-[4-(3-pyrrolidin-1-ylpropyl)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-methyl-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]benzamide

5-acetamido-2-chloro-N-[2-(4-piperidin-4-ylsulfonylanilino)pyrimidin-5-yl]benzamide;N-(2-anilinopyrimidin-5-yl)-2-chloro-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-chloro-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-(quinolin-2-ylamino)benzamide;2-chloro-N-[2-[4-(3-pyrrolidin-1-ylpropyl)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-methyl-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]benzamide (PubChem CID 159913680) has the molecular formula C132H111Cl4F9N30O11S and a molecular weight of 2638.40 g/mol. Its IUPAC name is 5-acetamido-2-chloro-N-[2-(4-piperidin-4-ylsulfonylanilino)pyrimidin-5-yl]benzamide;N-(2-anilinopyrimidin-5-yl)-2-chloro-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-chloro-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-(quinolin-2-ylamino)benzamide;2-chloro-N-[2-[4-(3-pyrrolidin-1-ylpropyl)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-methyl-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]benzamide.

Molecular Properties

Compound Name5-acetamido-2-chloro-N-[2-(4-piperidin-4-ylsulfonylanilino)pyrimidin-5-yl]benzamide;N-(2-anilinopyrimidin-5-yl)-2-chloro-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-chloro-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-(quinolin-2-ylamino)benzamide;2-chloro-N-[2-[4-(3-pyrrolidin-1-ylpropyl)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-methyl-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]benzamide
PubChem CID159913680
Molecular FormulaC132H111Cl4F9N30O11S
Molecular Weight2638.40 g/mol
Exact Mass2634.74
IUPAC Name5-acetamido-2-chloro-N-[2-(4-piperidin-4-ylsulfonylanilino)pyrimidin-5-yl]benzamide;N-(2-anilinopyrimidin-5-yl)-2-chloro-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-chloro-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-(quinolin-2-ylamino)benzamide;2-chloro-N-[2-[4-(3-pyrrolidin-1-ylpropyl)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-methyl-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]benzamide
SMILESCC(=O)Nc1ccc(Cl)c(C(=O)Nc2cnc(Nc3ccc(S(=O)(=O)C4CCNCC4)cc3)nc2)c1.Cc1ccc(NC(=O)Cc2cccc(C(F)(F)F)c2)cc1C(=O)Nc1cnc(Nc2cccnc2)nc1.O=C(Nc1ccc(Cl)c(C(=O)Nc2cnc(Nc3ccc(CCCN4CCCC4)cc3)nc2)c1)c1cccc(C(F)(F)F)c1.O=C(Nc1ccc(Cl)c(C(=O)Nc2cnc(Nc3ccccc3)nc2)c1)c1cccc(C(F)(F)F)c1.O=C(Nc1cnc(Nc2cccnc2)nc1)c1cc(Nc2ccc3ccccc3n2)ccc1Cl
InChIInChI=1S/C32H30ClF3N6O2.C26H21F3N6O2.C25H17ClF3N5O2.C25H18ClN7O.C24H25ClN6O4S/c33-28-13-12-25(39-29(43)22-6-3-7-23(17-22)32(34,35)36)18-27(28)30(44)40-26-19-37-31(38-20-26)41-24-10-8-21(9-11-24)5-4-16-42-14-1-2-15-42;1-16-7-8-19(33-23(36)11-17-4-2-5-18(10-17)26(27,28)29)12-22(16)24(37)34-21-14-31-25(32-15-21)35-20-6-3-9-30-13-20;26-21-10-9-18(32-22(35)15-5-4-6-16(11-15)25(27,28)29)12-20(21)23(36)33-19-13-30-24(31-14-19)34-17-7-2-1-3-8-17;26-21-9-8-17(30-23-10-7-16-4-1-2-6-22(16)33-23)12-20(21)24(34)31-19-14-28-25(29-15-19)32-18-5-3-11-27-13-18;1-15(32)29-17-4-7-22(25)21(12-17)23(33)30-18-13-27-24(28-14-18)31-16-2-5-19(6-3-16)36(34,35)20-8-10-26-11-9-20/h3,6-13,17-20H,1-2,4-5,14-16H2,(H,39,43)(H,40,44)(H,37,38,41);2-10,12-15H,11H2,1H3,(H,33,36)(H,34,37)(H,31,32,35);1-14H,(H,32,35)(H,33,36)(H,30,31,34);1-15H,(H,30,33)(H,31,34)(H,28,29,32);2-7,12-14,20,26H,8-11H2,1H3,(H,29,32)(H,30,33)(H,27,28,31)
InChIKeyNXMRHHXKAWRJGN-UHFFFAOYSA-N
XLogP28.62
TPSA551.06 Ų
H-Bond Donors16
H-Bond Acceptors32
Rotatable Bonds36
Heavy Atoms187
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002638.40
LogP ≤ 528.62
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1032

Analyze 5-acetamido-2-chloro-N-[2-(4-piperidin-4-ylsulfonylanilino)pyrimidin-5-yl]benzamide;N-(2-anilinopyrimidin-5-yl)-2-chloro-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-chloro-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-(quinolin-2-ylamino)benzamide;2-chloro-N-[2-[4-(3-pyrrolidin-1-ylpropyl)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-methyl-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]benzamide with MolForge

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Related Compounds

2-chloro-N-[2-(4-piperidin-4-ylsulfonylanilino)pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;N-[4-chloro-3-[[[2-(pyridin-3-ylamino)pyrimidin-5-yl]amino]methyl]phenyl]-3-(trifluoromethyl)benzamide;ethyl 3-[[5-[[2-chloro-5-[[3-(trifluoromethyl)benzoyl]amino]benzoyl]amino]pyrimidin-2-yl]amino]benzoate;5-[[5-[[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]benzoyl]amino]pyrimidin-2-yl]amino]-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide
CID 157639370
2-chloro-5-[(3-chlorobenzoyl)amino]-N-[2-(4-cyclohexylsulfonylanilino)pyrimidin-5-yl]benzamide;N-[4-chloro-3-[[2-(4-piperidin-4-ylsulfonylanilino)pyrimidin-5-yl]carbamoyl]phenyl]-2-fluoro-5-(trifluoromethyl)benzamide
CID 157650310
6-(2-Chloro-4-cyclopentylsulfinylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-6-(methyl-methylidene-oxo-lambda6-sulfanyl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylsulfinylphenyl)-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylsulfinylphenyl)-8-[(2-methylphenyl)methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylsulfonylphenyl)-8-ethyl-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 158990049
N-[4-[(4-chloro-3-pyridinyl)sulfonylmethyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide;N-[4-[(6-chloro-3-pyridinyl)sulfonylmethyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide;4-methyl-N-[6-(2-oxobut-3-enyl)naphthalen-2-yl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide;4-methyl-N-(2-prop-2-enoyl-3,4-dihydro-1H-isoquinolin-6-yl)-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide
CID 159047716
2-chloro-5-[(3-methylbenzoyl)amino]-N-[2-[4-(3-pyrrolidin-1-ylpropylsulfonyl)anilino]pyrimidin-5-yl]benzamide;2-chloro-N-[2-[4-(3-pyrrolidin-1-ylpropylsulfonyl)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-methyl-N-[2-[4-(3-pyrrolidin-1-ylpropylsulfonyl)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;N-[3-[[2-[4-(3-pyrrolidin-1-ylpropylsulfonyl)anilino]pyrimidin-5-yl]carbamoyl]phenyl]-3-(trifluoromethyl)benzamide
CID 159320506
4-[[3-(tert-butylsulfonylmethyl)-4-chlorophenyl]methyl]-N-[3,5-difluoro-4-(4-methylpiperazin-1-yl)phenyl]-5-methylpyrimidin-2-amine;4-[[3-(tert-butylsulfonylmethyl)phenyl]methyl]-N-[3,5-difluoro-4-(4-methylpiperazin-1-yl)phenyl]-5-methylpyrimidin-2-amine;4-[[3-(tert-butylsulfonylmethyl)phenyl]methyl]-5-methyl-N-[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]pyrimidin-2-amine;4-[[4-[[3-(tert-butylsulfonylmethyl)phenyl]methyl]-5-methylpyrimidin-2-yl]amino]-3-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 159476025
N-[4-[(4-chloro-3-pyridinyl)sulfonylmethyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide;N-[4-[(6-chloro-3-pyridinyl)sulfonylmethyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide;4-methyl-N-[4-(3-oxo-1,2-benzothiazol-2-yl)-3-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide;4-methyl-N-[6-(2-oxobut-3-enyl)naphthalen-2-yl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide
CID 159703850
4-acetamido-N-(4-chloro-3-isoquinolin-1-ylphenyl)benzamide;4-acetamido-N-(4-chloro-3-quinazolin-4-ylphenyl)benzamide;2-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-methylsulfonylbenzamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 160031814
N-[4-[(2-chloroacetyl)amino]-3-(trifluoromethyl)phenyl]-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide;N-[4-[(4-chloro-3-pyridinyl)sulfonylmethyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide;N-[4-[(6-chloro-3-pyridinyl)sulfonylmethyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide;4-methyl-N-[6-(2-oxobut-3-enyl)naphthalen-2-yl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide;4-methyl-N-(2-prop-2-enoyl-3,4-dihydro-1H-isoquinolin-6-yl)-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide
CID 160056397
2-[6-Chloro-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]benzenesulfonamide;1-[4-(6-chloro-7-quinolin-4-ylquinazolin-4-yl)piperazin-1-yl]prop-2-en-1-one;1-[4-[6,8-dichloro-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;2-[6-methyl-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]benzamide;1-[4-[6-methyl-7-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one
CID 160562515
6-(2-Chloro-4-cyclopentylsulfinylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-6-(methyl-methylidene-oxo-lambda6-sulfanyl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylsulfinylphenyl)-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylsulfinylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylsulfonylphenyl)-8-ethyl-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 161333086
N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide;N-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzenesulfonamide;N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzenesulfonamide;N-(4-chloro-3-quinazolin-2-ylphenyl)-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzenesulfonamide
CID 157275576

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-2-chloro-N-[2-(4-piperidin-4-ylsulfonylanilino)pyrimidin-5-yl]benzamide;N-(2-anilinopyrimidin-5-yl)-2-chloro-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-chloro-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-(quinolin-2-ylamino)benzamide;2-chloro-N-[2-[4-(3-pyrrolidin-1-ylpropyl)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-methyl-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]benzamide?
The IUPAC name of 5-acetamido-2-chloro-N-[2-(4-piperidin-4-ylsulfonylanilino)pyrimidin-5-yl]benzamide;N-(2-anilinopyrimidin-5-yl)-2-chloro-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-chloro-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-(quinolin-2-ylamino)benzamide;2-chloro-N-[2-[4-(3-pyrrolidin-1-ylpropyl)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-methyl-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]benzamide (CID 159913680) is 5-acetamido-2-chloro-N-[2-(4-piperidin-4-ylsulfonylanilino)pyrimidin-5-yl]benzamide;N-(2-anilinopyrimidin-5-yl)-2-chloro-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-chloro-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-(quinolin-2-ylamino)benzamide;2-chloro-N-[2-[4-(3-pyrrolidin-1-ylpropyl)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-methyl-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]benzamide.
What is the SMILES notation for 5-acetamido-2-chloro-N-[2-(4-piperidin-4-ylsulfonylanilino)pyrimidin-5-yl]benzamide;N-(2-anilinopyrimidin-5-yl)-2-chloro-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-chloro-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-(quinolin-2-ylamino)benzamide;2-chloro-N-[2-[4-(3-pyrrolidin-1-ylpropyl)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-methyl-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]benzamide?
The canonical SMILES for 5-acetamido-2-chloro-N-[2-(4-piperidin-4-ylsulfonylanilino)pyrimidin-5-yl]benzamide;N-(2-anilinopyrimidin-5-yl)-2-chloro-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-chloro-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-(quinolin-2-ylamino)benzamide;2-chloro-N-[2-[4-(3-pyrrolidin-1-ylpropyl)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-methyl-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]benzamide is CC(=O)Nc1ccc(Cl)c(C(=O)Nc2cnc(Nc3ccc(S(=O)(=O)C4CCNCC4)cc3)nc2)c1.Cc1ccc(NC(=O)Cc2cccc(C(F)(F)F)c2)cc1C(=O)Nc1cnc(Nc2cccnc2)nc1.O=C(Nc1ccc(Cl)c(C(=O)Nc2cnc(Nc3ccc(CCCN4CCCC4)cc3)nc2)c1)c1cccc(C(F)(F)F)c1.O=C(Nc1ccc(Cl)c(C(=O)Nc2cnc(Nc3ccccc3)nc2)c1)c1cccc(C(F)(F)F)c1.O=C(Nc1cnc(Nc2cccnc2)nc1)c1cc(Nc2ccc3ccccc3n2)ccc1Cl.
What is the InChIKey of 5-acetamido-2-chloro-N-[2-(4-piperidin-4-ylsulfonylanilino)pyrimidin-5-yl]benzamide;N-(2-anilinopyrimidin-5-yl)-2-chloro-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-chloro-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-(quinolin-2-ylamino)benzamide;2-chloro-N-[2-[4-(3-pyrrolidin-1-ylpropyl)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-methyl-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]benzamide?
The InChIKey is NXMRHHXKAWRJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30ClF3N6O2.C26H21F3N6O2.C25H17ClF3N5O2.C25H18ClN7O.C24H25ClN6O4S/c33-28-13-12-25(39-29(43)22-6-3-7-23(17-22)32(34,35)36)18-27(28)30(44)40-26-19-37-31(38-20-26)41-24-10-8-21(9-11-24)5-4-16-42-14-1-2-15-42;1-16-7-8-19(33-23(36)11-17-4-2-5-18(10-17)26(27,28)29)12-22(16)24(37)34-21-14-31-25(32-15-21)35-20-6-3-9-30-13-20;26-21-10-9-18(32-22(35)15-5-4-6-16(11-15)25(27,28)29)12-20(21)23(36)33-19-13-30-24(31-14-19)34-17-7-2-1-3-8-17;26-21-9-8-17(30-23-10-7-16-4-1-2-6-22(16)33-23)12-20(21)24(34)31-19-14-28-25(29-15-19)32-18-5-3-11-27-13-18;1-15(32)29-17-4-7-22(25)21(12-17)23(33)30-18-13-27-24(28-14-18)31-16-2-5-19(6-3-16)36(34,35)20-8-10-26-11-9-20/h3,6-13,17-20H,1-2,4-5,14-16H2,(H,39,43)(H,40,44)(H,37,38,41);2-10,12-15H,11H2,1H3,(H,33,36)(H,34,37)(H,31,32,35);1-14H,(H,32,35)(H,33,36)(H,30,31,34);1-15H,(H,30,33)(H,31,34)(H,28,29,32);2-7,12-14,20,26H,8-11H2,1H3,(H,29,32)(H,30,33)(H,27,28,31).
What are the key properties of 5-acetamido-2-chloro-N-[2-(4-piperidin-4-ylsulfonylanilino)pyrimidin-5-yl]benzamide;N-(2-anilinopyrimidin-5-yl)-2-chloro-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-chloro-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-(quinolin-2-ylamino)benzamide;2-chloro-N-[2-[4-(3-pyrrolidin-1-ylpropyl)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-methyl-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]benzamide?
5-acetamido-2-chloro-N-[2-(4-piperidin-4-ylsulfonylanilino)pyrimidin-5-yl]benzamide;N-(2-anilinopyrimidin-5-yl)-2-chloro-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-chloro-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-(quinolin-2-ylamino)benzamide;2-chloro-N-[2-[4-(3-pyrrolidin-1-ylpropyl)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-methyl-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]benzamide has a molecular weight of 2638.40 g/mol, XLogP of 28.62, 36 rotatable bonds, 16 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-2-chloro-N-[2-(4-piperidin-4-ylsulfonylanilino)pyrimidin-5-yl]benzamide;N-(2-anilinopyrimidin-5-yl)-2-chloro-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-chloro-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-(quinolin-2-ylamino)benzamide;2-chloro-N-[2-[4-(3-pyrrolidin-1-ylpropyl)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-methyl-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]benzamide is sourced from PubChem (CID 159913680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).