N-[3-[[4-(3-chloro-2-fluorophenyl)pyrimidin-2-yl]amino]phenyl]-4-(piperidin-1-ylmethyl)benzamide;4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[(4-phenylpyrimidin-2-yl)amino]benzamide;N-[3-[(4-phenylpyrimidin-2-yl)amino]phenyl]-4-(piperidin-1-ylmethyl)benzamide;4-(piperidin-1-ylmethyl)-N-[3-[[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]amino]phenyl]benzamide;4-(piperidin-1-ylmethyl)-N-[3-[[4-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]amino]phenyl]benzamide

C148H144ClF7N26O5 — CID 158293886

IUPACN-[3-[[4-(3-chloro-2-fluorophenyl)pyrimidin-2-yl]amino]phenyl]-4-(piperidin-1-ylmethyl)benzamide;4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[(4-phenylpyrimidin-2-yl)amino]benzamide;N-[3-[(4-phenylpyrimidin-2-yl)amino]phenyl]-4-(piperidin-1-ylmethyl)benzamide;4-(piperidin-1-ylmethyl)-N-[3-[[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]amino]phenyl]benzamide;4-(piperidin-1-ylmethyl)-N-[3-[[4-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]amino]phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2ccccc2)n1.O=C(Nc1cccc(Nc2nccc(-c3ccc(C(F)(F)F)cc3)n2)c1)c1ccc(CN2CCCCC2)cc1.O=C(Nc1cccc(Nc2nccc(-c3cccc(C(F)(F)F)c3)n2)c1)c1ccc(CN2CCCCC2)cc1.O=C(Nc1cccc(Nc2nccc(-c3cccc(Cl)c3F)n2)c1)c1ccc(CN2CCCCC2)cc1.O=C(Nc1cccc(Nc2nccc(-c3ccccc3)n2)c1)c1ccc(CN2CCCCC2)cc1
InChIInChI=1S/2C30H28F3N5O.C30H32N6O.C29H27ClFN5O.C29H29N5O/c31-30(32,33)24-7-4-6-23(18-24)27-14-15-34-29(37-27)36-26-9-5-8-25(19-26)35-28(39)22-12-10-21(11-13-22)20-38-16-2-1-3-17-38;31-30(32,33)24-13-11-22(12-14-24)27-15-16-34-29(37-27)36-26-6-4-5-25(19-26)35-28(39)23-9-7-21(8-10-23)20-38-17-2-1-3-18-38;1-22-8-11-25(20-28(22)34-30-31-15-14-27(33-30)24-6-4-3-5-7-24)29(37)32-26-12-9-23(10-13-26)21-36-18-16-35(2)17-19-36;30-25-9-5-8-24(27(25)31)26-14-15-32-29(35-26)34-23-7-4-6-22(18-23)33-28(37)21-12-10-20(11-13-21)19-36-16-2-1-3-17-36;35-28(24-14-12-22(13-15-24)21-34-18-5-2-6-19-34)31-25-10-7-11-26(20-25)32-29-30-17-16-27(33-29)23-8-3-1-4-9-23/h4-15,18-19H,1-3,16-17,20H2,(H,35,39)(H,34,36,37);4-16,19H,1-3,17-18,20H2,(H,35,39)(H,34,36,37);3-15,20H,16-19,21H2,1-2H3,(H,32,37)(H,31,33,34);4-15,18H,1-3,16-17,19H2,(H,33,37)(H,32,34,35);1,3-4,7-17,20H,2,5-6,18-19,21H2,(H,31,35)(H,30,32,33)
InChIKeyGLRHSONTVXECLK-UHFFFAOYSA-N
MW2535.40 g/mol
LogP32.53
Rot. Bonds35

About N-[3-[[4-(3-chloro-2-fluorophenyl)pyrimidin-2-yl]amino]phenyl]-4-(piperidin-1-ylmethyl)benzamide;4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[(4-phenylpyrimidin-2-yl)amino]benzamide;N-[3-[(4-phenylpyrimidin-2-yl)amino]phenyl]-4-(piperidin-1-ylmethyl)benzamide;4-(piperidin-1-ylmethyl)-N-[3-[[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]amino]phenyl]benzamide;4-(piperidin-1-ylmethyl)-N-[3-[[4-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]amino]phenyl]benzamide

N-[3-[[4-(3-chloro-2-fluorophenyl)pyrimidin-2-yl]amino]phenyl]-4-(piperidin-1-ylmethyl)benzamide;4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[(4-phenylpyrimidin-2-yl)amino]benzamide;N-[3-[(4-phenylpyrimidin-2-yl)amino]phenyl]-4-(piperidin-1-ylmethyl)benzamide;4-(piperidin-1-ylmethyl)-N-[3-[[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]amino]phenyl]benzamide;4-(piperidin-1-ylmethyl)-N-[3-[[4-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]amino]phenyl]benzamide (PubChem CID 158293886) has the molecular formula C148H144ClF7N26O5 and a molecular weight of 2535.40 g/mol. Its IUPAC name is N-[3-[[4-(3-chloro-2-fluorophenyl)pyrimidin-2-yl]amino]phenyl]-4-(piperidin-1-ylmethyl)benzamide;4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[(4-phenylpyrimidin-2-yl)amino]benzamide;N-[3-[(4-phenylpyrimidin-2-yl)amino]phenyl]-4-(piperidin-1-ylmethyl)benzamide;4-(piperidin-1-ylmethyl)-N-[3-[[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]amino]phenyl]benzamide;4-(piperidin-1-ylmethyl)-N-[3-[[4-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]amino]phenyl]benzamide.

Molecular Properties

Compound NameN-[3-[[4-(3-chloro-2-fluorophenyl)pyrimidin-2-yl]amino]phenyl]-4-(piperidin-1-ylmethyl)benzamide;4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[(4-phenylpyrimidin-2-yl)amino]benzamide;N-[3-[(4-phenylpyrimidin-2-yl)amino]phenyl]-4-(piperidin-1-ylmethyl)benzamide;4-(piperidin-1-ylmethyl)-N-[3-[[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]amino]phenyl]benzamide;4-(piperidin-1-ylmethyl)-N-[3-[[4-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]amino]phenyl]benzamide
PubChem CID158293886
Molecular FormulaC148H144ClF7N26O5
Molecular Weight2535.40 g/mol
Exact Mass2533.14
IUPAC NameN-[3-[[4-(3-chloro-2-fluorophenyl)pyrimidin-2-yl]amino]phenyl]-4-(piperidin-1-ylmethyl)benzamide;4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[(4-phenylpyrimidin-2-yl)amino]benzamide;N-[3-[(4-phenylpyrimidin-2-yl)amino]phenyl]-4-(piperidin-1-ylmethyl)benzamide;4-(piperidin-1-ylmethyl)-N-[3-[[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]amino]phenyl]benzamide;4-(piperidin-1-ylmethyl)-N-[3-[[4-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]amino]phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2ccccc2)n1.O=C(Nc1cccc(Nc2nccc(-c3ccc(C(F)(F)F)cc3)n2)c1)c1ccc(CN2CCCCC2)cc1.O=C(Nc1cccc(Nc2nccc(-c3cccc(C(F)(F)F)c3)n2)c1)c1ccc(CN2CCCCC2)cc1.O=C(Nc1cccc(Nc2nccc(-c3cccc(Cl)c3F)n2)c1)c1ccc(CN2CCCCC2)cc1.O=C(Nc1cccc(Nc2nccc(-c3ccccc3)n2)c1)c1ccc(CN2CCCCC2)cc1
InChIInChI=1S/2C30H28F3N5O.C30H32N6O.C29H27ClFN5O.C29H29N5O/c31-30(32,33)24-7-4-6-23(18-24)27-14-15-34-29(37-27)36-26-9-5-8-25(19-26)35-28(39)22-12-10-21(11-13-22)20-38-16-2-1-3-17-38;31-30(32,33)24-13-11-22(12-14-24)27-15-16-34-29(37-27)36-26-6-4-5-25(19-26)35-28(39)23-9-7-21(8-10-23)20-38-17-2-1-3-18-38;1-22-8-11-25(20-28(22)34-30-31-15-14-27(33-30)24-6-4-3-5-7-24)29(37)32-26-12-9-23(10-13-26)21-36-18-16-35(2)17-19-36;30-25-9-5-8-24(27(25)31)26-14-15-32-29(35-26)34-23-7-4-6-22(18-23)33-28(37)21-12-10-20(11-13-21)19-36-16-2-1-3-17-36;35-28(24-14-12-22(13-15-24)21-34-18-5-2-6-19-34)31-25-10-7-11-26(20-25)32-29-30-17-16-27(33-29)23-8-3-1-4-9-23/h4-15,18-19H,1-3,16-17,20H2,(H,35,39)(H,34,36,37);4-16,19H,1-3,17-18,20H2,(H,35,39)(H,34,36,37);3-15,20H,16-19,21H2,1-2H3,(H,32,37)(H,31,33,34);4-15,18H,1-3,16-17,19H2,(H,33,37)(H,32,34,35);1,3-4,7-17,20H,2,5-6,18-19,21H2,(H,31,35)(H,30,32,33)
InChIKeyGLRHSONTVXECLK-UHFFFAOYSA-N
XLogP32.53
TPSA353.99 Ų
H-Bond Donors10
H-Bond Acceptors26
Rotatable Bonds35
Heavy Atoms187
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002535.40
LogP ≤ 532.53
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1026

Analyze N-[3-[[4-(3-chloro-2-fluorophenyl)pyrimidin-2-yl]amino]phenyl]-4-(piperidin-1-ylmethyl)benzamide;4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[(4-phenylpyrimidin-2-yl)amino]benzamide;N-[3-[(4-phenylpyrimidin-2-yl)amino]phenyl]-4-(piperidin-1-ylmethyl)benzamide;4-(piperidin-1-ylmethyl)-N-[3-[[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]amino]phenyl]benzamide;4-(piperidin-1-ylmethyl)-N-[3-[[4-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]amino]phenyl]benzamide with MolForge

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Related Compounds

N-(4-methyl-3-(4-(pyrimidin-5-yl)pyrimidin-2-ylamino)phenyl)-4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)benzamide
CID 9807952
3-chloro-4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
CID 10007129
N-[2-(3-aminoanilino)pyrimidin-5-yl]-5-[[3-chloro-5-(trifluoromethyl)benzoyl]amino]-2-methylbenzamide
CID 71555942
(10R,14S)-14-[4-(3-chloro-2,6-difluorophenyl)-6-oxo-2,3-dihydropyridin-1-yl]-10-methyl-5-(pyrimidin-2-ylamino)-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-9-one
CID 73050940
(10R,14S)-14-[4-(3-chloro-2,6-difluorophenyl)-2-oxo-1-pyridinyl]-10-methyl-5-(pyrimidin-2-ylamino)-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-9-one
CID 90060453
US8653087, III-509
CID 68036324
N-[4-methyl-3-[2-[3-[(4-methylpiperazin-1-yl)methyl]anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 68253380
3-chloro-N-[4-methyl-3-[2-[4-(4-methylpiperazin-1-yl)anilino]-5-oxo-7,8-dihydropyrido[4,3-d]pyrimidin-6-yl]phenyl]-5-(trifluoromethyl)benzamide
CID 71183554
4-(8-(3-acrylamidophenyl)quinazolin-6-yl)-3-chloro-N-(4-(trifluoromethyl)pyridin-2-yl)benzamide
CID 134264537
4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[[4-(5-pyridin-4-yl-3-pyridinyl)pyrimidin-2-yl]amino]phenyl]benzamide
CID 24897303
US10906896, Cpd 830
CID 122650577
US10906896, Cpd 820
CID 122650578

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(3-chloro-2-fluorophenyl)pyrimidin-2-yl]amino]phenyl]-4-(piperidin-1-ylmethyl)benzamide;4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[(4-phenylpyrimidin-2-yl)amino]benzamide;N-[3-[(4-phenylpyrimidin-2-yl)amino]phenyl]-4-(piperidin-1-ylmethyl)benzamide;4-(piperidin-1-ylmethyl)-N-[3-[[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]amino]phenyl]benzamide;4-(piperidin-1-ylmethyl)-N-[3-[[4-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]amino]phenyl]benzamide?
The IUPAC name of N-[3-[[4-(3-chloro-2-fluorophenyl)pyrimidin-2-yl]amino]phenyl]-4-(piperidin-1-ylmethyl)benzamide;4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[(4-phenylpyrimidin-2-yl)amino]benzamide;N-[3-[(4-phenylpyrimidin-2-yl)amino]phenyl]-4-(piperidin-1-ylmethyl)benzamide;4-(piperidin-1-ylmethyl)-N-[3-[[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]amino]phenyl]benzamide;4-(piperidin-1-ylmethyl)-N-[3-[[4-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]amino]phenyl]benzamide (CID 158293886) is N-[3-[[4-(3-chloro-2-fluorophenyl)pyrimidin-2-yl]amino]phenyl]-4-(piperidin-1-ylmethyl)benzamide;4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[(4-phenylpyrimidin-2-yl)amino]benzamide;N-[3-[(4-phenylpyrimidin-2-yl)amino]phenyl]-4-(piperidin-1-ylmethyl)benzamide;4-(piperidin-1-ylmethyl)-N-[3-[[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]amino]phenyl]benzamide;4-(piperidin-1-ylmethyl)-N-[3-[[4-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]amino]phenyl]benzamide.
What is the SMILES notation for N-[3-[[4-(3-chloro-2-fluorophenyl)pyrimidin-2-yl]amino]phenyl]-4-(piperidin-1-ylmethyl)benzamide;4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[(4-phenylpyrimidin-2-yl)amino]benzamide;N-[3-[(4-phenylpyrimidin-2-yl)amino]phenyl]-4-(piperidin-1-ylmethyl)benzamide;4-(piperidin-1-ylmethyl)-N-[3-[[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]amino]phenyl]benzamide;4-(piperidin-1-ylmethyl)-N-[3-[[4-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]amino]phenyl]benzamide?
The canonical SMILES for N-[3-[[4-(3-chloro-2-fluorophenyl)pyrimidin-2-yl]amino]phenyl]-4-(piperidin-1-ylmethyl)benzamide;4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[(4-phenylpyrimidin-2-yl)amino]benzamide;N-[3-[(4-phenylpyrimidin-2-yl)amino]phenyl]-4-(piperidin-1-ylmethyl)benzamide;4-(piperidin-1-ylmethyl)-N-[3-[[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]amino]phenyl]benzamide;4-(piperidin-1-ylmethyl)-N-[3-[[4-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]amino]phenyl]benzamide is Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2ccccc2)n1.O=C(Nc1cccc(Nc2nccc(-c3ccc(C(F)(F)F)cc3)n2)c1)c1ccc(CN2CCCCC2)cc1.O=C(Nc1cccc(Nc2nccc(-c3cccc(C(F)(F)F)c3)n2)c1)c1ccc(CN2CCCCC2)cc1.O=C(Nc1cccc(Nc2nccc(-c3cccc(Cl)c3F)n2)c1)c1ccc(CN2CCCCC2)cc1.O=C(Nc1cccc(Nc2nccc(-c3ccccc3)n2)c1)c1ccc(CN2CCCCC2)cc1.
What is the InChIKey of N-[3-[[4-(3-chloro-2-fluorophenyl)pyrimidin-2-yl]amino]phenyl]-4-(piperidin-1-ylmethyl)benzamide;4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[(4-phenylpyrimidin-2-yl)amino]benzamide;N-[3-[(4-phenylpyrimidin-2-yl)amino]phenyl]-4-(piperidin-1-ylmethyl)benzamide;4-(piperidin-1-ylmethyl)-N-[3-[[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]amino]phenyl]benzamide;4-(piperidin-1-ylmethyl)-N-[3-[[4-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]amino]phenyl]benzamide?
The InChIKey is GLRHSONTVXECLK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C30H28F3N5O.C30H32N6O.C29H27ClFN5O.C29H29N5O/c31-30(32,33)24-7-4-6-23(18-24)27-14-15-34-29(37-27)36-26-9-5-8-25(19-26)35-28(39)22-12-10-21(11-13-22)20-38-16-2-1-3-17-38;31-30(32,33)24-13-11-22(12-14-24)27-15-16-34-29(37-27)36-26-6-4-5-25(19-26)35-28(39)23-9-7-21(8-10-23)20-38-17-2-1-3-18-38;1-22-8-11-25(20-28(22)34-30-31-15-14-27(33-30)24-6-4-3-5-7-24)29(37)32-26-12-9-23(10-13-26)21-36-18-16-35(2)17-19-36;30-25-9-5-8-24(27(25)31)26-14-15-32-29(35-26)34-23-7-4-6-22(18-23)33-28(37)21-12-10-20(11-13-21)19-36-16-2-1-3-17-36;35-28(24-14-12-22(13-15-24)21-34-18-5-2-6-19-34)31-25-10-7-11-26(20-25)32-29-30-17-16-27(33-29)23-8-3-1-4-9-23/h4-15,18-19H,1-3,16-17,20H2,(H,35,39)(H,34,36,37);4-16,19H,1-3,17-18,20H2,(H,35,39)(H,34,36,37);3-15,20H,16-19,21H2,1-2H3,(H,32,37)(H,31,33,34);4-15,18H,1-3,16-17,19H2,(H,33,37)(H,32,34,35);1,3-4,7-17,20H,2,5-6,18-19,21H2,(H,31,35)(H,30,32,33).
What are the key properties of N-[3-[[4-(3-chloro-2-fluorophenyl)pyrimidin-2-yl]amino]phenyl]-4-(piperidin-1-ylmethyl)benzamide;4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[(4-phenylpyrimidin-2-yl)amino]benzamide;N-[3-[(4-phenylpyrimidin-2-yl)amino]phenyl]-4-(piperidin-1-ylmethyl)benzamide;4-(piperidin-1-ylmethyl)-N-[3-[[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]amino]phenyl]benzamide;4-(piperidin-1-ylmethyl)-N-[3-[[4-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]amino]phenyl]benzamide?
N-[3-[[4-(3-chloro-2-fluorophenyl)pyrimidin-2-yl]amino]phenyl]-4-(piperidin-1-ylmethyl)benzamide;4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[(4-phenylpyrimidin-2-yl)amino]benzamide;N-[3-[(4-phenylpyrimidin-2-yl)amino]phenyl]-4-(piperidin-1-ylmethyl)benzamide;4-(piperidin-1-ylmethyl)-N-[3-[[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]amino]phenyl]benzamide;4-(piperidin-1-ylmethyl)-N-[3-[[4-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]amino]phenyl]benzamide has a molecular weight of 2535.40 g/mol, XLogP of 32.53, 35 rotatable bonds, 10 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-(3-chloro-2-fluorophenyl)pyrimidin-2-yl]amino]phenyl]-4-(piperidin-1-ylmethyl)benzamide;4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[(4-phenylpyrimidin-2-yl)amino]benzamide;N-[3-[(4-phenylpyrimidin-2-yl)amino]phenyl]-4-(piperidin-1-ylmethyl)benzamide;4-(piperidin-1-ylmethyl)-N-[3-[[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]amino]phenyl]benzamide;4-(piperidin-1-ylmethyl)-N-[3-[[4-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]amino]phenyl]benzamide is sourced from PubChem (CID 158293886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).