4-[5-chloro-4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2-methylphenyl]-N-methylbenzamide;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,3-dimethylphenyl]-N-methylbenzamide;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-ethyl-2-methylphenyl]-N-methylbenzamide;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-methyl-2-propan-2-ylphenyl]-N-methylbenzamide

C98H99Cl5N28O4 — CID 158856308

IUPAC4-[5-chloro-4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2-methylphenyl]-N-methylbenzamide;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,3-dimethylphenyl]-N-methylbenzamide;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-ethyl-2-methylphenyl]-N-methylbenzamide;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-methyl-2-propan-2-ylphenyl]-N-methylbenzamide
SMILESCCc1cc(-c2ccc(C(=O)NC)cc2)c(C)cc1Nc1ncc(Cl)c(Nc2cc(C)[nH]n2)n1.CNC(=O)c1ccc(-c2cc(C)c(Nc3ncc(Cl)c(Nc4cc(C)[nH]n4)n3)cc2C(C)C)cc1.CNC(=O)c1ccc(-c2cc(Cl)c(Nc3ncc(Cl)c(Nc4cc(C)[nH]n4)n3)cc2C)cc1.CNC(=O)c1ccc(-c2ccc(Nc3ncc(Cl)c(Nc4cc(C)[nH]n4)n3)c(C)c2C)cc1
InChIInChI=1S/C26H28ClN7O.C25H26ClN7O.C24H24ClN7O.C23H21Cl2N7O/c1-14(2)19-12-22(15(3)10-20(19)17-6-8-18(9-7-17)25(35)28-5)30-26-29-13-21(27)24(32-26)31-23-11-16(4)33-34-23;1-5-16-12-19(17-6-8-18(9-7-17)24(34)27-4)14(2)10-21(16)29-25-28-13-20(26)23(31-25)30-22-11-15(3)32-33-22;1-13-11-21(32-31-13)29-22-19(25)12-27-24(30-22)28-20-10-9-18(14(2)15(20)3)16-5-7-17(8-6-16)23(33)26-4;1-12-8-19(17(24)10-16(12)14-4-6-15(7-5-14)22(33)26-3)28-23-27-11-18(25)21(30-23)29-20-9-13(2)31-32-20/h6-14H,1-5H3,(H,28,35)(H3,29,30,31,32,33,34);6-13H,5H2,1-4H3,(H,27,34)(H3,28,29,30,31,32,33);5-12H,1-4H3,(H,26,33)(H3,27,28,29,30,31,32);4-11H,1-3H3,(H,26,33)(H3,27,28,29,30,31,32)
InChIKeyJACBYGANOJWWDY-UHFFFAOYSA-N
MW1910.33 g/mol
LogP22.58
Rot. Bonds26

About 4-[5-chloro-4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2-methylphenyl]-N-methylbenzamide;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,3-dimethylphenyl]-N-methylbenzamide;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-ethyl-2-methylphenyl]-N-methylbenzamide;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-methyl-2-propan-2-ylphenyl]-N-methylbenzamide

4-[5-chloro-4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2-methylphenyl]-N-methylbenzamide;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,3-dimethylphenyl]-N-methylbenzamide;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-ethyl-2-methylphenyl]-N-methylbenzamide;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-methyl-2-propan-2-ylphenyl]-N-methylbenzamide (PubChem CID 158856308) has the molecular formula C98H99Cl5N28O4 and a molecular weight of 1910.33 g/mol. Its IUPAC name is 4-[5-chloro-4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2-methylphenyl]-N-methylbenzamide;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,3-dimethylphenyl]-N-methylbenzamide;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-ethyl-2-methylphenyl]-N-methylbenzamide;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-methyl-2-propan-2-ylphenyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[5-chloro-4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2-methylphenyl]-N-methylbenzamide;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,3-dimethylphenyl]-N-methylbenzamide;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-ethyl-2-methylphenyl]-N-methylbenzamide;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-methyl-2-propan-2-ylphenyl]-N-methylbenzamide
PubChem CID158856308
Molecular FormulaC98H99Cl5N28O4
Molecular Weight1910.33 g/mol
Exact Mass1906.68
IUPAC Name4-[5-chloro-4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2-methylphenyl]-N-methylbenzamide;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,3-dimethylphenyl]-N-methylbenzamide;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-ethyl-2-methylphenyl]-N-methylbenzamide;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-methyl-2-propan-2-ylphenyl]-N-methylbenzamide
SMILESCCc1cc(-c2ccc(C(=O)NC)cc2)c(C)cc1Nc1ncc(Cl)c(Nc2cc(C)[nH]n2)n1.CNC(=O)c1ccc(-c2cc(C)c(Nc3ncc(Cl)c(Nc4cc(C)[nH]n4)n3)cc2C(C)C)cc1.CNC(=O)c1ccc(-c2cc(Cl)c(Nc3ncc(Cl)c(Nc4cc(C)[nH]n4)n3)cc2C)cc1.CNC(=O)c1ccc(-c2ccc(Nc3ncc(Cl)c(Nc4cc(C)[nH]n4)n3)c(C)c2C)cc1
InChIInChI=1S/C26H28ClN7O.C25H26ClN7O.C24H24ClN7O.C23H21Cl2N7O/c1-14(2)19-12-22(15(3)10-20(19)17-6-8-18(9-7-17)25(35)28-5)30-26-29-13-21(27)24(32-26)31-23-11-16(4)33-34-23;1-5-16-12-19(17-6-8-18(9-7-17)24(34)27-4)14(2)10-21(16)29-25-28-13-20(26)23(31-25)30-22-11-15(3)32-33-22;1-13-11-21(32-31-13)29-22-19(25)12-27-24(30-22)28-20-10-9-18(14(2)15(20)3)16-5-7-17(8-6-16)23(33)26-4;1-12-8-19(17(24)10-16(12)14-4-6-15(7-5-14)22(33)26-3)28-23-27-11-18(25)21(30-23)29-20-9-13(2)31-32-20/h6-14H,1-5H3,(H,28,35)(H3,29,30,31,32,33,34);6-13H,5H2,1-4H3,(H,27,34)(H3,28,29,30,31,32,33);5-12H,1-4H3,(H,26,33)(H3,27,28,29,30,31,32);4-11H,1-3H3,(H,26,33)(H3,27,28,29,30,31,32)
InChIKeyJACBYGANOJWWDY-UHFFFAOYSA-N
XLogP22.58
TPSA430.48 Ų
H-Bond Donors16
H-Bond Acceptors24
Rotatable Bonds26
Heavy Atoms135
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001910.33
LogP ≤ 522.58
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1024

Analyze 4-[5-chloro-4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2-methylphenyl]-N-methylbenzamide;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,3-dimethylphenyl]-N-methylbenzamide;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-ethyl-2-methylphenyl]-N-methylbenzamide;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-methyl-2-propan-2-ylphenyl]-N-methylbenzamide with MolForge

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Related Compounds

5-chloro-2-N-[2,5-dimethyl-4-(1-propan-2-ylpiperidin-4-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;(3R)-3-[[5-chloro-2-[2-fluoro-5-methyl-4-(1-methylpiperidin-4-yl)anilino]pyrimidin-4-yl]amino]azepan-2-one;5-chloro-2-[(2-fluoro-5-methyl-4-piperidin-4-ylphenyl)methyl]-4-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrimidine;1-[4-[4-[[5-chloro-4-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]butan-2-one;2-[4-[4-[[5-chloro-4-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]acetamide
CID 159704915
6-chloro-5-[6-(1H-indazol-3-ylamino)-4,5-dimethyl-2-pyridinyl]-1,2-dihydroindazol-3-one;6-chloro-5-[4-(1H-indazol-3-ylamino)-5,6,7,8-tetrahydroquinolin-2-yl]-1,2-dihydroindazol-3-one;6-chloro-5-[1-[(5-methyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]-1,2-dihydroindazol-3-one;5-[4-(1H-indazol-3-ylamino)-1,8-naphthyridin-2-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one
CID 162246582
(7-chloro-2H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(7-fluoro-2H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-fluoro-6-methyl-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-fluoro-1-propan-2-ylindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-indazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-methyl-1-propan-2-ylindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;2H-pyrazolo[3,4-b]pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-pyrazolo[4,3-c]pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 163948948
4-[5-chloro-4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2-methylphenyl]-N-methylbenzamide
CID 25264543
6-(8-chloro-4-fluoroquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(8-chloro-2-methylquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(8-chloro-2-methylquinolin-6-yl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one;6-(8-chloro-3-methylquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(8-chloro-5-methylquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(8-chloro-5-methylquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-2-one
CID 157399566
N-[3-[[5-chloro-4-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyrimidin-2-yl]methyl]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]-N-[3-[[4-(1H-indol-3-yl)-5,6-dimethylpyrimidin-2-yl]methyl]phenyl]benzamide;4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]-N-[3-[[4-(4-methyl-1H-indol-3-yl)pyrimidin-2-yl]methyl]phenyl]benzamide
CID 157613399
5-[(4-fluorophenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[(3-isocyanophenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[[4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide
CID 157826612
2-amino-N-[1-(4-chloro-2-methyl-7-phenylindazol-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[1-(4-chloro-7-phenyl-1H-indazol-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 157913369
N-[2-(4-chlorophenyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-7-yl]acetamide;1-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-phenylquinazolin-7-yl]ethanone;N-(5-methyl-1H-pyrazol-3-yl)-2-phenyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;N-(5-methyl-1H-pyrazol-3-yl)-2-phenyl-5,6,7,8-tetrahydroquinazolin-4-amine;N-(5-methyl-1H-pyrazol-3-yl)-2-pyridin-4-ylquinazolin-4-amine
CID 158246116
5-chloro-2-N-[4-(1-cyclopropylpiperidin-4-yl)-2-fluoro-5-methylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[4-(1-ethylpiperidin-4-yl)-2,5-dimethylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]propanamide;2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-N-methylpropanamide;2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]propanamide
CID 158296163
4-tert-butyl-7-chloro-5-methyl-1H-indazole;4-tert-butyl-2-chloro-5-methyl-1H-indole;4-tert-butyl-7-chloro-5-methyl-1H-indole;4-tert-butyl-3,7-difluoro-5-methyl-2H-indazole;4-tert-butyl-N,5-dimethyl-1H-indazol-3-amine;4-tert-butyl-7-fluoro-5-methyl-1H-indazol-3-amine;4-tert-butyl-3-fluoro-5-methyl-2H-indazole;4-tert-butyl-7-fluoro-5-methyl-1H-indazole;4-tert-butyl-3-fluoro-5-methyl-1H-indole;7-tert-butyl-3-fluoro-6-methyl-1H-indole;4-tert-butyl-5-methyl-1,2-dihydroindazol-3-one;4-tert-butyl-5-methyl-1H-indazol-3-amine;4-tert-butyl-5-methyl-1H-indol-3-amine;7-tert-butyl-6-methyl-1H-indole;4-tert-butyl-5-methyl-1H-pyrazolo[3,4-b]pyridine;4-tert-butyl-5-methyl-1H-pyrazolo[3,4-c]pyridine
CID 158495992
4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]amino]-N-(3-methylphenyl)benzamide;2-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]amino]phenyl]-1-(3-methylphenyl)ethanone;4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-N-(3-methylphenyl)benzamide;2-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-1-(3-methylphenyl)ethanone
CID 158581273

Frequently Asked Questions

What is the IUPAC name of 4-[5-chloro-4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2-methylphenyl]-N-methylbenzamide;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,3-dimethylphenyl]-N-methylbenzamide;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-ethyl-2-methylphenyl]-N-methylbenzamide;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-methyl-2-propan-2-ylphenyl]-N-methylbenzamide?
The IUPAC name of 4-[5-chloro-4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2-methylphenyl]-N-methylbenzamide;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,3-dimethylphenyl]-N-methylbenzamide;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-ethyl-2-methylphenyl]-N-methylbenzamide;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-methyl-2-propan-2-ylphenyl]-N-methylbenzamide (CID 158856308) is 4-[5-chloro-4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2-methylphenyl]-N-methylbenzamide;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,3-dimethylphenyl]-N-methylbenzamide;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-ethyl-2-methylphenyl]-N-methylbenzamide;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-methyl-2-propan-2-ylphenyl]-N-methylbenzamide.
What is the SMILES notation for 4-[5-chloro-4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2-methylphenyl]-N-methylbenzamide;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,3-dimethylphenyl]-N-methylbenzamide;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-ethyl-2-methylphenyl]-N-methylbenzamide;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-methyl-2-propan-2-ylphenyl]-N-methylbenzamide?
The canonical SMILES for 4-[5-chloro-4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2-methylphenyl]-N-methylbenzamide;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,3-dimethylphenyl]-N-methylbenzamide;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-ethyl-2-methylphenyl]-N-methylbenzamide;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-methyl-2-propan-2-ylphenyl]-N-methylbenzamide is CCc1cc(-c2ccc(C(=O)NC)cc2)c(C)cc1Nc1ncc(Cl)c(Nc2cc(C)[nH]n2)n1.CNC(=O)c1ccc(-c2cc(C)c(Nc3ncc(Cl)c(Nc4cc(C)[nH]n4)n3)cc2C(C)C)cc1.CNC(=O)c1ccc(-c2cc(Cl)c(Nc3ncc(Cl)c(Nc4cc(C)[nH]n4)n3)cc2C)cc1.CNC(=O)c1ccc(-c2ccc(Nc3ncc(Cl)c(Nc4cc(C)[nH]n4)n3)c(C)c2C)cc1.
What is the InChIKey of 4-[5-chloro-4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2-methylphenyl]-N-methylbenzamide;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,3-dimethylphenyl]-N-methylbenzamide;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-ethyl-2-methylphenyl]-N-methylbenzamide;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-methyl-2-propan-2-ylphenyl]-N-methylbenzamide?
The InChIKey is JACBYGANOJWWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClN7O.C25H26ClN7O.C24H24ClN7O.C23H21Cl2N7O/c1-14(2)19-12-22(15(3)10-20(19)17-6-8-18(9-7-17)25(35)28-5)30-26-29-13-21(27)24(32-26)31-23-11-16(4)33-34-23;1-5-16-12-19(17-6-8-18(9-7-17)24(34)27-4)14(2)10-21(16)29-25-28-13-20(26)23(31-25)30-22-11-15(3)32-33-22;1-13-11-21(32-31-13)29-22-19(25)12-27-24(30-22)28-20-10-9-18(14(2)15(20)3)16-5-7-17(8-6-16)23(33)26-4;1-12-8-19(17(24)10-16(12)14-4-6-15(7-5-14)22(33)26-3)28-23-27-11-18(25)21(30-23)29-20-9-13(2)31-32-20/h6-14H,1-5H3,(H,28,35)(H3,29,30,31,32,33,34);6-13H,5H2,1-4H3,(H,27,34)(H3,28,29,30,31,32,33);5-12H,1-4H3,(H,26,33)(H3,27,28,29,30,31,32);4-11H,1-3H3,(H,26,33)(H3,27,28,29,30,31,32).
What are the key properties of 4-[5-chloro-4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2-methylphenyl]-N-methylbenzamide;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,3-dimethylphenyl]-N-methylbenzamide;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-ethyl-2-methylphenyl]-N-methylbenzamide;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-methyl-2-propan-2-ylphenyl]-N-methylbenzamide?
4-[5-chloro-4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2-methylphenyl]-N-methylbenzamide;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,3-dimethylphenyl]-N-methylbenzamide;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-ethyl-2-methylphenyl]-N-methylbenzamide;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-methyl-2-propan-2-ylphenyl]-N-methylbenzamide has a molecular weight of 1910.33 g/mol, XLogP of 22.58, 26 rotatable bonds, 16 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-chloro-4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2-methylphenyl]-N-methylbenzamide;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,3-dimethylphenyl]-N-methylbenzamide;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-ethyl-2-methylphenyl]-N-methylbenzamide;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-methyl-2-propan-2-ylphenyl]-N-methylbenzamide is sourced from PubChem (CID 158856308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).