4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-difluorophenyl]-N-methylbenzamide;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]benzamide;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]-N-methylbenzamide;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2-fluoro-5-methylphenyl]-N-methylbenzamide

C92H85Cl4F3N28O4 — CID 159752893

IUPAC4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-difluorophenyl]-N-methylbenzamide;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]benzamide;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]-N-methylbenzamide;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2-fluoro-5-methylphenyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2cc(C)c(Nc3ncc(Cl)c(Nc4cc(C)[nH]n4)n3)cc2C)cc1.CNC(=O)c1ccc(-c2cc(C)c(Nc3ncc(Cl)c(Nc4cc(C)[nH]n4)n3)cc2F)cc1.CNC(=O)c1ccc(-c2cc(F)c(Nc3ncc(Cl)c(Nc4cc(C)[nH]n4)n3)cc2F)cc1.Cc1cc(Nc2nc(Nc3cc(C)c(-c4ccc(C(N)=O)cc4)cc3C)ncc2Cl)n[nH]1
InChIInChI=1S/C24H24ClN7O.C23H21ClFN7O.C23H22ClN7O.C22H18ClF2N7O/c1-13-10-20(14(2)9-18(13)16-5-7-17(8-6-16)23(33)26-4)28-24-27-12-19(25)22(30-24)29-21-11-15(3)31-32-21;1-12-8-16(14-4-6-15(7-5-14)22(33)26-3)18(25)10-19(12)28-23-27-11-17(24)21(30-23)29-20-9-13(2)31-32-20;1-12-9-19(13(2)8-17(12)15-4-6-16(7-5-15)21(25)32)27-23-26-11-18(24)22(29-23)28-20-10-14(3)30-31-20;1-11-7-19(32-31-11)29-20-15(23)10-27-22(30-20)28-18-9-16(24)14(8-17(18)25)12-3-5-13(6-4-12)21(33)26-2/h5-12H,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);4-11H,1-3H3,(H2,25,32)(H3,26,27,28,29,30,31);3-10H,1-2H3,(H,26,33)(H3,27,28,29,30,31,32)
InChIKeyNDWKJRLAEJUUTO-UHFFFAOYSA-N
MW1845.69 g/mol
LogP20.40
Rot. Bonds24

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

4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-difluorophenyl]-N-methylbenzamide;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]benzamide;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]-N-methylbenzamide;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2-fluoro-5-methylphenyl]-N-methylbenzamide (PubChem CID 159752893) has the molecular formula C92H85Cl4F3N28O4 and a molecular weight of 1845.69 g/mol. Its IUPAC name is 4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-difluorophenyl]-N-methylbenzamide;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]benzamide;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]-N-methylbenzamide;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2-fluoro-5-methylphenyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-difluorophenyl]-N-methylbenzamide;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]benzamide;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]-N-methylbenzamide;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2-fluoro-5-methylphenyl]-N-methylbenzamide
PubChem CID159752893
Molecular FormulaC92H85Cl4F3N28O4
Molecular Weight1845.69 g/mol
Exact Mass1842.60
IUPAC Name4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-difluorophenyl]-N-methylbenzamide;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]benzamide;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]-N-methylbenzamide;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2-fluoro-5-methylphenyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2cc(C)c(Nc3ncc(Cl)c(Nc4cc(C)[nH]n4)n3)cc2C)cc1.CNC(=O)c1ccc(-c2cc(C)c(Nc3ncc(Cl)c(Nc4cc(C)[nH]n4)n3)cc2F)cc1.CNC(=O)c1ccc(-c2cc(F)c(Nc3ncc(Cl)c(Nc4cc(C)[nH]n4)n3)cc2F)cc1.Cc1cc(Nc2nc(Nc3cc(C)c(-c4ccc(C(N)=O)cc4)cc3C)ncc2Cl)n[nH]1
InChIInChI=1S/C24H24ClN7O.C23H21ClFN7O.C23H22ClN7O.C22H18ClF2N7O/c1-13-10-20(14(2)9-18(13)16-5-7-17(8-6-16)23(33)26-4)28-24-27-12-19(25)22(30-24)29-21-11-15(3)31-32-21;1-12-8-16(14-4-6-15(7-5-14)22(33)26-3)18(25)10-19(12)28-23-27-11-17(24)21(30-23)29-20-9-13(2)31-32-20;1-12-9-19(13(2)8-17(12)15-4-6-16(7-5-15)21(25)32)27-23-26-11-18(24)22(29-23)28-20-10-14(3)30-31-20;1-11-7-19(32-31-11)29-20-15(23)10-27-22(30-20)28-18-9-16(24)14(8-17(18)25)12-3-5-13(6-4-12)21(33)26-2/h5-12H,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);4-11H,1-3H3,(H2,25,32)(H3,26,27,28,29,30,31);3-10H,1-2H3,(H,26,33)(H3,27,28,29,30,31,32)
InChIKeyNDWKJRLAEJUUTO-UHFFFAOYSA-N
XLogP20.40
TPSA444.47 Ų
H-Bond Donors16
H-Bond Acceptors24
Rotatable Bonds24
Heavy Atoms131
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001845.69
LogP ≤ 520.40
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1024

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-difluorophenyl]-N-methylbenzamide;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]benzamide;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]-N-methylbenzamide;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2-fluoro-5-methylphenyl]-N-methylbenzamide?
The IUPAC name of 4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-difluorophenyl]-N-methylbenzamide;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]benzamide;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]-N-methylbenzamide;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2-fluoro-5-methylphenyl]-N-methylbenzamide (CID 159752893) is 4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-difluorophenyl]-N-methylbenzamide;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]benzamide;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]-N-methylbenzamide;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2-fluoro-5-methylphenyl]-N-methylbenzamide.
What is the SMILES notation for 4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-difluorophenyl]-N-methylbenzamide;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]benzamide;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]-N-methylbenzamide;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2-fluoro-5-methylphenyl]-N-methylbenzamide?
The canonical SMILES for 4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-difluorophenyl]-N-methylbenzamide;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]benzamide;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]-N-methylbenzamide;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2-fluoro-5-methylphenyl]-N-methylbenzamide is CNC(=O)c1ccc(-c2cc(C)c(Nc3ncc(Cl)c(Nc4cc(C)[nH]n4)n3)cc2C)cc1.CNC(=O)c1ccc(-c2cc(C)c(Nc3ncc(Cl)c(Nc4cc(C)[nH]n4)n3)cc2F)cc1.CNC(=O)c1ccc(-c2cc(F)c(Nc3ncc(Cl)c(Nc4cc(C)[nH]n4)n3)cc2F)cc1.Cc1cc(Nc2nc(Nc3cc(C)c(-c4ccc(C(N)=O)cc4)cc3C)ncc2Cl)n[nH]1.
What is the InChIKey of 4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-difluorophenyl]-N-methylbenzamide;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]benzamide;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]-N-methylbenzamide;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2-fluoro-5-methylphenyl]-N-methylbenzamide?
The InChIKey is NDWKJRLAEJUUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN7O.C23H21ClFN7O.C23H22ClN7O.C22H18ClF2N7O/c1-13-10-20(14(2)9-18(13)16-5-7-17(8-6-16)23(33)26-4)28-24-27-12-19(25)22(30-24)29-21-11-15(3)31-32-21;1-12-8-16(14-4-6-15(7-5-14)22(33)26-3)18(25)10-19(12)28-23-27-11-17(24)21(30-23)29-20-9-13(2)31-32-20;1-12-9-19(13(2)8-17(12)15-4-6-16(7-5-15)21(25)32)27-23-26-11-18(24)22(29-23)28-20-10-14(3)30-31-20;1-11-7-19(32-31-11)29-20-15(23)10-27-22(30-20)28-18-9-16(24)14(8-17(18)25)12-3-5-13(6-4-12)21(33)26-2/h5-12H,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);4-11H,1-3H3,(H2,25,32)(H3,26,27,28,29,30,31);3-10H,1-2H3,(H,26,33)(H3,27,28,29,30,31,32).
What are the key properties of 4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-difluorophenyl]-N-methylbenzamide;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]benzamide;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]-N-methylbenzamide;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2-fluoro-5-methylphenyl]-N-methylbenzamide?
4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-difluorophenyl]-N-methylbenzamide;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]benzamide;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]-N-methylbenzamide;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2-fluoro-5-methylphenyl]-N-methylbenzamide has a molecular weight of 1845.69 g/mol, XLogP of 20.40, 24 rotatable bonds, 16 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-difluorophenyl]-N-methylbenzamide;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]benzamide;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]-N-methylbenzamide;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2-fluoro-5-methylphenyl]-N-methylbenzamide is sourced from PubChem (CID 159752893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).