4-[2-chloro-4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluorophenyl]-N-methylbenzamide;5-chloro-2-N-[2-fluoro-5-methyl-4-(4-methylsulfonylphenyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]benzenesulfonamide;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]-N-methylbenzenesulfonamide

C87H78Cl5F4N27O7S3 — CID 159236127

IUPAC4-[2-chloro-4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluorophenyl]-N-methylbenzamide;5-chloro-2-N-[2-fluoro-5-methyl-4-(4-methylsulfonylphenyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]benzenesulfonamide;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]-N-methylbenzenesulfonamide
SMILESCNC(=O)c1ccc(-c2cc(F)c(Nc3ncc(Cl)c(Nc4cc(C)[nH]n4)n3)cc2Cl)cc1.CNS(=O)(=O)c1ccc(-c2cc(F)c(Nc3ncc(Cl)c(Nc4cc(C)[nH]n4)n3)cc2C)cc1.Cc1cc(Nc2nc(Nc3cc(C)c(-c4ccc(S(C)(=O)=O)cc4)cc3F)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(C)c(-c4ccc(S(N)(=O)=O)cc4)cc3F)ncc2Cl)n[nH]1
InChIInChI=1S/C22H18Cl2FN7O.C22H21ClFN7O2S.C22H20ClFN6O2S.C21H19ClFN7O2S/c1-11-7-19(32-31-11)29-20-16(24)10-27-22(30-20)28-18-9-15(23)14(8-17(18)25)12-3-5-13(6-4-12)21(33)26-2;1-12-8-19(18(24)10-16(12)14-4-6-15(7-5-14)34(32,33)25-3)27-22-26-11-17(23)21(29-22)28-20-9-13(2)30-31-20;1-12-8-19(18(24)10-16(12)14-4-6-15(7-5-14)33(3,31)32)26-22-25-11-17(23)21(28-22)27-20-9-13(2)29-30-20;1-11-7-18(17(23)9-15(11)13-3-5-14(6-4-13)33(24,31)32)26-21-25-10-16(22)20(28-21)27-19-8-12(2)29-30-19/h3-10H,1-2H3,(H,26,33)(H3,27,28,29,30,31,32);4-11,25H,1-3H3,(H3,26,27,28,29,30,31);4-11H,1-3H3,(H3,25,26,27,28,29,30);3-10H,1-2H3,(H2,24,31,32)(H3,25,26,27,28,29,30)
InChIKeyKTMLTYFSPSQEPB-UHFFFAOYSA-N
MW1963.22 g/mol
LogP19.72
Rot. Bonds25

About 4-[2-chloro-4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluorophenyl]-N-methylbenzamide;5-chloro-2-N-[2-fluoro-5-methyl-4-(4-methylsulfonylphenyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]benzenesulfonamide;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]-N-methylbenzenesulfonamide

4-[2-chloro-4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluorophenyl]-N-methylbenzamide;5-chloro-2-N-[2-fluoro-5-methyl-4-(4-methylsulfonylphenyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]benzenesulfonamide;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]-N-methylbenzenesulfonamide (PubChem CID 159236127) has the molecular formula C87H78Cl5F4N27O7S3 and a molecular weight of 1963.22 g/mol. Its IUPAC name is 4-[2-chloro-4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluorophenyl]-N-methylbenzamide;5-chloro-2-N-[2-fluoro-5-methyl-4-(4-methylsulfonylphenyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]benzenesulfonamide;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-[2-chloro-4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluorophenyl]-N-methylbenzamide;5-chloro-2-N-[2-fluoro-5-methyl-4-(4-methylsulfonylphenyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]benzenesulfonamide;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]-N-methylbenzenesulfonamide
PubChem CID159236127
Molecular FormulaC87H78Cl5F4N27O7S3
Molecular Weight1963.22 g/mol
Exact Mass1959.41
IUPAC Name4-[2-chloro-4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluorophenyl]-N-methylbenzamide;5-chloro-2-N-[2-fluoro-5-methyl-4-(4-methylsulfonylphenyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]benzenesulfonamide;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]-N-methylbenzenesulfonamide
SMILESCNC(=O)c1ccc(-c2cc(F)c(Nc3ncc(Cl)c(Nc4cc(C)[nH]n4)n3)cc2Cl)cc1.CNS(=O)(=O)c1ccc(-c2cc(F)c(Nc3ncc(Cl)c(Nc4cc(C)[nH]n4)n3)cc2C)cc1.Cc1cc(Nc2nc(Nc3cc(C)c(-c4ccc(S(C)(=O)=O)cc4)cc3F)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(C)c(-c4ccc(S(N)(=O)=O)cc4)cc3F)ncc2Cl)n[nH]1
InChIInChI=1S/C22H18Cl2FN7O.C22H21ClFN7O2S.C22H20ClFN6O2S.C21H19ClFN7O2S/c1-11-7-19(32-31-11)29-20-16(24)10-27-22(30-20)28-18-9-15(23)14(8-17(18)25)12-3-5-13(6-4-12)21(33)26-2;1-12-8-19(18(24)10-16(12)14-4-6-15(7-5-14)34(32,33)25-3)27-22-26-11-17(23)21(29-22)28-20-9-13(2)30-31-20;1-12-8-19(18(24)10-16(12)14-4-6-15(7-5-14)33(3,31)32)26-22-25-11-17(23)21(28-22)27-20-9-13(2)29-30-20;1-11-7-18(17(23)9-15(11)13-3-5-14(6-4-13)33(24,31)32)26-21-25-10-16(22)20(28-21)27-19-8-12(2)29-30-19/h3-10H,1-2H3,(H,26,33)(H3,27,28,29,30,31,32);4-11,25H,1-3H3,(H3,26,27,28,29,30,31);4-11H,1-3H3,(H3,25,26,27,28,29,30);3-10H,1-2H3,(H2,24,31,32)(H3,25,26,27,28,29,30)
InChIKeyKTMLTYFSPSQEPB-UHFFFAOYSA-N
XLogP19.72
TPSA483.65 Ų
H-Bond Donors15
H-Bond Acceptors27
Rotatable Bonds25
Heavy Atoms133
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001963.22
LogP ≤ 519.72
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1027

Analyze 4-[2-chloro-4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluorophenyl]-N-methylbenzamide;5-chloro-2-N-[2-fluoro-5-methyl-4-(4-methylsulfonylphenyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]benzenesulfonamide;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]-N-methylbenzenesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2-chloro-4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluorophenyl]-N-methylbenzamide;5-chloro-2-N-[2-fluoro-5-methyl-4-(4-methylsulfonylphenyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]benzenesulfonamide;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]-N-methylbenzenesulfonamide?
The IUPAC name of 4-[2-chloro-4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluorophenyl]-N-methylbenzamide;5-chloro-2-N-[2-fluoro-5-methyl-4-(4-methylsulfonylphenyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]benzenesulfonamide;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]-N-methylbenzenesulfonamide (CID 159236127) is 4-[2-chloro-4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluorophenyl]-N-methylbenzamide;5-chloro-2-N-[2-fluoro-5-methyl-4-(4-methylsulfonylphenyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]benzenesulfonamide;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-[2-chloro-4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluorophenyl]-N-methylbenzamide;5-chloro-2-N-[2-fluoro-5-methyl-4-(4-methylsulfonylphenyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]benzenesulfonamide;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-[2-chloro-4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluorophenyl]-N-methylbenzamide;5-chloro-2-N-[2-fluoro-5-methyl-4-(4-methylsulfonylphenyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]benzenesulfonamide;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]-N-methylbenzenesulfonamide is CNC(=O)c1ccc(-c2cc(F)c(Nc3ncc(Cl)c(Nc4cc(C)[nH]n4)n3)cc2Cl)cc1.CNS(=O)(=O)c1ccc(-c2cc(F)c(Nc3ncc(Cl)c(Nc4cc(C)[nH]n4)n3)cc2C)cc1.Cc1cc(Nc2nc(Nc3cc(C)c(-c4ccc(S(C)(=O)=O)cc4)cc3F)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(C)c(-c4ccc(S(N)(=O)=O)cc4)cc3F)ncc2Cl)n[nH]1.
What is the InChIKey of 4-[2-chloro-4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluorophenyl]-N-methylbenzamide;5-chloro-2-N-[2-fluoro-5-methyl-4-(4-methylsulfonylphenyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]benzenesulfonamide;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]-N-methylbenzenesulfonamide?
The InChIKey is KTMLTYFSPSQEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2FN7O.C22H21ClFN7O2S.C22H20ClFN6O2S.C21H19ClFN7O2S/c1-11-7-19(32-31-11)29-20-16(24)10-27-22(30-20)28-18-9-15(23)14(8-17(18)25)12-3-5-13(6-4-12)21(33)26-2;1-12-8-19(18(24)10-16(12)14-4-6-15(7-5-14)34(32,33)25-3)27-22-26-11-17(23)21(29-22)28-20-9-13(2)30-31-20;1-12-8-19(18(24)10-16(12)14-4-6-15(7-5-14)33(3,31)32)26-22-25-11-17(23)21(28-22)27-20-9-13(2)29-30-20;1-11-7-18(17(23)9-15(11)13-3-5-14(6-4-13)33(24,31)32)26-21-25-10-16(22)20(28-21)27-19-8-12(2)29-30-19/h3-10H,1-2H3,(H,26,33)(H3,27,28,29,30,31,32);4-11,25H,1-3H3,(H3,26,27,28,29,30,31);4-11H,1-3H3,(H3,25,26,27,28,29,30);3-10H,1-2H3,(H2,24,31,32)(H3,25,26,27,28,29,30).
What are the key properties of 4-[2-chloro-4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluorophenyl]-N-methylbenzamide;5-chloro-2-N-[2-fluoro-5-methyl-4-(4-methylsulfonylphenyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]benzenesulfonamide;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]-N-methylbenzenesulfonamide?
4-[2-chloro-4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluorophenyl]-N-methylbenzamide;5-chloro-2-N-[2-fluoro-5-methyl-4-(4-methylsulfonylphenyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]benzenesulfonamide;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]-N-methylbenzenesulfonamide has a molecular weight of 1963.22 g/mol, XLogP of 19.72, 25 rotatable bonds, 15 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-chloro-4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluorophenyl]-N-methylbenzamide;5-chloro-2-N-[2-fluoro-5-methyl-4-(4-methylsulfonylphenyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]benzenesulfonamide;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 159236127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).