2-chloro-N-[2-[[6-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-3-pyridinyl]amino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]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-ylethylsulfamoyl)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-methyl-5-(phenylcarbamoylamino)-N-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]benzamide

C121H118Cl3F6N29O15S — CID 157333710

IUPAC2-chloro-N-[2-[[6-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-3-pyridinyl]amino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]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-ylethylsulfamoyl)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-methyl-5-(phenylcarbamoylamino)-N-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]benzamide
SMILESCc1cc(C(=O)Nc2ccc(Cl)c(C(=O)Nc3cnc(Nc4ccc(OCCN5CCCC5)cc4)nc3)c2)no1.Cc1ccc(NC(=O)Nc2ccccc2)cc1C(=O)Nc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1.O=C(Nc1ccc(Cl)c(C(=O)Nc2cnc(Nc3ccc(C(=O)N4CCN(CCO)CC4)nc3)nc2)c1)c1cccc(C(F)(F)F)c1.O=C(Nc1ccc(Cl)c(C(=O)Nc2cnc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)nc2)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C31H28ClF3N8O4.C31H29ClF3N7O4S.C31H33N7O3.C28H28ClN7O4/c32-25-6-4-21(39-27(45)19-2-1-3-20(14-19)31(33,34)35)15-24(25)28(46)40-23-17-37-30(38-18-23)41-22-5-7-26(36-16-22)29(47)43-10-8-42(9-11-43)12-13-44;32-27-11-8-23(39-28(43)20-4-3-5-21(16-20)31(33,34)35)17-26(27)29(44)40-24-18-36-30(37-19-24)41-22-6-9-25(10-7-22)47(45,46)38-12-15-42-13-1-2-14-42;1-22-9-10-25(37-31(40)36-23-7-3-2-4-8-23)19-28(22)29(39)34-26-20-32-30(33-21-26)35-24-11-13-27(14-12-24)41-18-17-38-15-5-6-16-38;1-18-14-25(35-40-18)27(38)32-20-6-9-24(29)23(15-20)26(37)33-21-16-30-28(31-17-21)34-19-4-7-22(8-5-19)39-13-12-36-10-2-3-11-36/h1-7,14-18,44H,8-13H2,(H,39,45)(H,40,46)(H,37,38,41);3-11,16-19,38H,1-2,12-15H2,(H,39,43)(H,40,44)(H,36,37,41);2-4,7-14,19-21H,5-6,15-18H2,1H3,(H,34,39)(H,32,33,35)(H2,36,37,40);4-9,14-17H,2-3,10-13H2,1H3,(H,32,38)(H,33,37)(H,30,31,34)
InChIKeyBFOXLJBSNXOZAA-UHFFFAOYSA-N
MW2470.88 g/mol
LogP21.36
Rot. Bonds40

About 2-chloro-N-[2-[[6-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-3-pyridinyl]amino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]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-ylethylsulfamoyl)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-methyl-5-(phenylcarbamoylamino)-N-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]benzamide

2-chloro-N-[2-[[6-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-3-pyridinyl]amino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]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-ylethylsulfamoyl)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-methyl-5-(phenylcarbamoylamino)-N-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]benzamide (PubChem CID 157333710) has the molecular formula C121H118Cl3F6N29O15S and a molecular weight of 2470.88 g/mol. Its IUPAC name is 2-chloro-N-[2-[[6-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-3-pyridinyl]amino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]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-ylethylsulfamoyl)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-methyl-5-(phenylcarbamoylamino)-N-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-[[6-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-3-pyridinyl]amino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]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-ylethylsulfamoyl)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-methyl-5-(phenylcarbamoylamino)-N-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]benzamide
PubChem CID157333710
Molecular FormulaC121H118Cl3F6N29O15S
Molecular Weight2470.88 g/mol
Exact Mass2467.81
IUPAC Name2-chloro-N-[2-[[6-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-3-pyridinyl]amino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]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-ylethylsulfamoyl)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-methyl-5-(phenylcarbamoylamino)-N-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]benzamide
SMILESCc1cc(C(=O)Nc2ccc(Cl)c(C(=O)Nc3cnc(Nc4ccc(OCCN5CCCC5)cc4)nc3)c2)no1.Cc1ccc(NC(=O)Nc2ccccc2)cc1C(=O)Nc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1.O=C(Nc1ccc(Cl)c(C(=O)Nc2cnc(Nc3ccc(C(=O)N4CCN(CCO)CC4)nc3)nc2)c1)c1cccc(C(F)(F)F)c1.O=C(Nc1ccc(Cl)c(C(=O)Nc2cnc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)nc2)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C31H28ClF3N8O4.C31H29ClF3N7O4S.C31H33N7O3.C28H28ClN7O4/c32-25-6-4-21(39-27(45)19-2-1-3-20(14-19)31(33,34)35)15-24(25)28(46)40-23-17-37-30(38-18-23)41-22-5-7-26(36-16-22)29(47)43-10-8-42(9-11-43)12-13-44;32-27-11-8-23(39-28(43)20-4-3-5-21(16-20)31(33,34)35)17-26(27)29(44)40-24-18-36-30(37-19-24)41-22-6-9-25(10-7-22)47(45,46)38-12-15-42-13-1-2-14-42;1-22-9-10-25(37-31(40)36-23-7-3-2-4-8-23)19-28(22)29(39)34-26-20-32-30(33-21-26)35-24-11-13-27(14-12-24)41-18-17-38-15-5-6-16-38;1-18-14-25(35-40-18)27(38)32-20-6-9-24(29)23(15-20)26(37)33-21-16-30-28(31-17-21)34-19-4-7-22(8-5-19)39-13-12-36-10-2-3-11-36/h1-7,14-18,44H,8-13H2,(H,39,45)(H,40,46)(H,37,38,41);3-11,16-19,38H,1-2,12-15H2,(H,39,43)(H,40,44)(H,36,37,41);2-4,7-14,19-21H,5-6,15-18H2,1H3,(H,34,39)(H,32,33,35)(H2,36,37,40);4-9,14-17H,2-3,10-13H2,1H3,(H,32,38)(H,33,37)(H,30,31,34)
InChIKeyBFOXLJBSNXOZAA-UHFFFAOYSA-N
XLogP21.36
TPSA553.12 Ų
H-Bond Donors15
H-Bond Acceptors33
Rotatable Bonds40
Heavy Atoms175
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002470.88
LogP ≤ 521.36
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1033

Analyze 2-chloro-N-[2-[[6-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-3-pyridinyl]amino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]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-ylethylsulfamoyl)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-methyl-5-(phenylcarbamoylamino)-N-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]benzamide with MolForge

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Related Compounds

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
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-benzyl-4-methyl-3-[[2-[4-(2-pyrrolidin-1-ylethylsulfamoyl)anilino]pyrimidin-5-yl]amino]benzenesulfonamide;2-chloro-N-[2-[4-(3-pyrrolidin-1-ylpropyl)anilino]pyrimidin-5-yl]-5-(quinolin-2-ylamino)benzamide;N-[2-chloro-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidine-5-carboxamide;4-methyl-3-[[2-[4-(2-pyrrolidin-1-ylethylsulfamoyl)anilino]pyrimidin-5-yl]amino]benzenesulfonamide
CID 159710859
2-chloro-5-[(3-fluorobenzoyl)amino]-N-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]benzamide;2-chloro-5-[(4-isocyanobenzoyl)amino]-N-[2-(4-piperidin-4-ylsulfonylanilino)pyrimidin-5-yl]benzamide;N-[4-chloro-3-[[2-(4-piperidin-4-ylsulfonylanilino)pyrimidin-5-yl]carbamoyl]phenyl]thiophene-2-carboxamide;5-[[5-[[2-chloro-5-[[3-(trifluoromethyl)benzoyl]amino]benzoyl]amino]pyrimidin-2-yl]amino]-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide
CID 160104577
N-[4-chloro-3-[[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-5-yl]carbamoyl]phenyl]pyridine-3-carboxamide;2-chloro-N-[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-chloro-N-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;5-(2,2-dimethylpropanoylamino)-2-methyl-N-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]benzamide
CID 161012776
2-chloro-5-(cyclohexanecarbonylamino)-N-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]benzamide;2-chloro-5-(pyridin-2-ylamino)-N-[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]benzamide;2-chloro-N-[2-[4-(2-pyrrolidin-1-ylethylcarbamoyl)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-methyl-N-[2-[4-(2-pyrrolidin-1-ylethylcarbamoyl)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide
CID 161635875

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[[6-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-3-pyridinyl]amino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]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-ylethylsulfamoyl)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-methyl-5-(phenylcarbamoylamino)-N-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]benzamide?
The IUPAC name of 2-chloro-N-[2-[[6-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-3-pyridinyl]amino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]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-ylethylsulfamoyl)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-methyl-5-(phenylcarbamoylamino)-N-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]benzamide (CID 157333710) is 2-chloro-N-[2-[[6-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-3-pyridinyl]amino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]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-ylethylsulfamoyl)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-methyl-5-(phenylcarbamoylamino)-N-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-[[6-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-3-pyridinyl]amino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]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-ylethylsulfamoyl)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-methyl-5-(phenylcarbamoylamino)-N-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]benzamide?
The canonical SMILES for 2-chloro-N-[2-[[6-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-3-pyridinyl]amino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]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-ylethylsulfamoyl)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-methyl-5-(phenylcarbamoylamino)-N-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]benzamide is Cc1cc(C(=O)Nc2ccc(Cl)c(C(=O)Nc3cnc(Nc4ccc(OCCN5CCCC5)cc4)nc3)c2)no1.Cc1ccc(NC(=O)Nc2ccccc2)cc1C(=O)Nc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1.O=C(Nc1ccc(Cl)c(C(=O)Nc2cnc(Nc3ccc(C(=O)N4CCN(CCO)CC4)nc3)nc2)c1)c1cccc(C(F)(F)F)c1.O=C(Nc1ccc(Cl)c(C(=O)Nc2cnc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)nc2)c1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-chloro-N-[2-[[6-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-3-pyridinyl]amino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]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-ylethylsulfamoyl)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-methyl-5-(phenylcarbamoylamino)-N-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]benzamide?
The InChIKey is BFOXLJBSNXOZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28ClF3N8O4.C31H29ClF3N7O4S.C31H33N7O3.C28H28ClN7O4/c32-25-6-4-21(39-27(45)19-2-1-3-20(14-19)31(33,34)35)15-24(25)28(46)40-23-17-37-30(38-18-23)41-22-5-7-26(36-16-22)29(47)43-10-8-42(9-11-43)12-13-44;32-27-11-8-23(39-28(43)20-4-3-5-21(16-20)31(33,34)35)17-26(27)29(44)40-24-18-36-30(37-19-24)41-22-6-9-25(10-7-22)47(45,46)38-12-15-42-13-1-2-14-42;1-22-9-10-25(37-31(40)36-23-7-3-2-4-8-23)19-28(22)29(39)34-26-20-32-30(33-21-26)35-24-11-13-27(14-12-24)41-18-17-38-15-5-6-16-38;1-18-14-25(35-40-18)27(38)32-20-6-9-24(29)23(15-20)26(37)33-21-16-30-28(31-17-21)34-19-4-7-22(8-5-19)39-13-12-36-10-2-3-11-36/h1-7,14-18,44H,8-13H2,(H,39,45)(H,40,46)(H,37,38,41);3-11,16-19,38H,1-2,12-15H2,(H,39,43)(H,40,44)(H,36,37,41);2-4,7-14,19-21H,5-6,15-18H2,1H3,(H,34,39)(H,32,33,35)(H2,36,37,40);4-9,14-17H,2-3,10-13H2,1H3,(H,32,38)(H,33,37)(H,30,31,34).
What are the key properties of 2-chloro-N-[2-[[6-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-3-pyridinyl]amino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]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-ylethylsulfamoyl)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-methyl-5-(phenylcarbamoylamino)-N-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]benzamide?
2-chloro-N-[2-[[6-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-3-pyridinyl]amino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]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-ylethylsulfamoyl)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-methyl-5-(phenylcarbamoylamino)-N-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]benzamide has a molecular weight of 2470.88 g/mol, XLogP of 21.36, 40 rotatable bonds, 15 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[[6-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-3-pyridinyl]amino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]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-ylethylsulfamoyl)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-methyl-5-(phenylcarbamoylamino)-N-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]benzamide is sourced from PubChem (CID 157333710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).