5-[[5-chloro-2-[2-methoxy-5-methyl-4-[4-(methylcarbamoyl)phenyl]anilino]pyrimidin-4-yl]amino]-1H-pyrazole-4-carboxamide;3-[[5-chloro-2-[2-methoxy-5-methyl-4-[4-(methylcarbamoyl)phenyl]anilino]pyrimidin-4-yl]amino]pyridine-2-carboxamide;4-[4-[[5-chloro-4-[(3-methyl-1,2-oxazol-5-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]-N-methylbenzamide

C73H67Cl3FN21O8 — CID 157458663

About 5-[[5-chloro-2-[2-methoxy-5-methyl-4-[4-(methylcarbamoyl)phenyl]anilino]pyrimidin-4-yl]amino]-1H-pyrazole-4-carboxamide;3-[[5-chloro-2-[2-methoxy-5-methyl-4-[4-(methylcarbamoyl)phenyl]anilino]pyrimidin-4-yl]amino]pyridine-2-carboxamide;4-[4-[[5-chloro-4-[(3-methyl-1,2-oxazol-5-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]-N-methylbenzamide

5-[[5-chloro-2-[2-methoxy-5-methyl-4-[4-(methylcarbamoyl)phenyl]anilino]pyrimidin-4-yl]amino]-1H-pyrazole-4-carboxamide;3-[[5-chloro-2-[2-methoxy-5-methyl-4-[4-(methylcarbamoyl)phenyl]anilino]pyrimidin-4-yl]amino]pyridine-2-carboxamide;4-[4-[[5-chloro-4-[(3-methyl-1,2-oxazol-5-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]-N-methylbenzamide (PubChem CID 157458663) has the molecular formula C73H67Cl3FN21O8 and a molecular weight of 1491.83 g/mol. Its IUPAC name is 5-[[5-chloro-2-[2-methoxy-5-methyl-4-[4-(methylcarbamoyl)phenyl]anilino]pyrimidin-4-yl]amino]-1H-pyrazole-4-carboxamide;3-[[5-chloro-2-[2-methoxy-5-methyl-4-[4-(methylcarbamoyl)phenyl]anilino]pyrimidin-4-yl]amino]pyridine-2-carboxamide;4-[4-[[5-chloro-4-[(3-methyl-1,2-oxazol-5-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]-N-methylbenzamide.

Molecular Properties

• Compound Name: 5-[[5-chloro-2-[2-methoxy-5-methyl-4-[4-(methylcarbamoyl)phenyl]anilino]pyrimidin-4-yl]amino]-1H-pyrazole-4-carboxamide;3-[[5-chloro-2-[2-methoxy-5-methyl-4-[4-(methylcarbamoyl)phenyl]anilino]pyrimidin-4-yl]amino]pyridine-2-carboxamide;4-[4-[[5-chloro-4-[(3-methyl-1,2-oxazol-5-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]-N-methylbenzamide
• PubChem CID: 157458663
• Molecular Formula: C73H67Cl3FN21O8
• Molecular Weight: 1491.83 g/mol
• Exact Mass: 1489.45
• IUPAC Name: 5-[[5-chloro-2-[2-methoxy-5-methyl-4-[4-(methylcarbamoyl)phenyl]anilino]pyrimidin-4-yl]amino]-1H-pyrazole-4-carboxamide;3-[[5-chloro-2-[2-methoxy-5-methyl-4-[4-(methylcarbamoyl)phenyl]anilino]pyrimidin-4-yl]amino]pyridine-2-carboxamide;4-[4-[[5-chloro-4-[(3-methyl-1,2-oxazol-5-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]-N-methylbenzamide
• SMILES: CNC(=O)c1ccc(-c2cc(F)c(Nc3ncc(Cl)c(Nc4cc(C)no4)n3)cc2C)cc1.CNC(=O)c1ccc(-c2cc(OC)c(Nc3ncc(Cl)c(Nc4[nH]ncc4C(N)=O)n3)cc2C)cc1.CNC(=O)c1ccc(-c2cc(OC)c(Nc3ncc(Cl)c(Nc4cccnc4C(N)=O)n3)cc2C)cc1
• InChI: InChI=1S/C26H24ClN7O3.C24H23ClN8O3.C23H20ClFN6O2/c1-14-11-20(21(37-3)12-17(14)15-6-8-16(9-7-15)25(36)29-2)33-26-31-13-18(27)24(34-26)32-19-5-4-10-30-22(19)23(28)35;1-12-8-18(19(36-3)9-15(12)13-4-6-14(7-5-13)23(35)27-2)30-24-28-11-17(25)22(32-24)31-21-16(20(26)34)10-29-33-21;1-12-8-19(18(25)10-16(12)14-4-6-15(7-5-14)22(32)26-3)28-23-27-11-17(24)21(30-23)29-20-9-13(2)31-33-20/h4-13H,1-3H3,(H2,28,35)(H,29,36)(H2,31,32,33,34);4-11H,1-3H3,(H2,26,34)(H,27,35)(H3,28,29,30,31,32,33);4-11H,1-3H3,(H,26,32)(H2,27,28,29,30)
• InChIKey: BTQWUIOFMLSWEC-UHFFFAOYSA-N
• XLogP: 13.63
• TPSA: 409.06 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 23
• Rotatable Bonds: 22
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1491.83
LogP ≤ 5	13.63
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 5-[[5-chloro-2-[2-methoxy-5-methyl-4-[4-(methylcarbamoyl)phenyl]anilino]pyrimidin-4-yl]amino]-1H-pyrazole-4-carboxamide;3-[[5-chloro-2-[2-methoxy-5-methyl-4-[4-(methylcarbamoyl)phenyl]anilino]pyrimidin-4-yl]amino]pyridine-2-carboxamide;4-[4-[[5-chloro-4-[(3-methyl-1,2-oxazol-5-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]-N-methylbenzamide?

The IUPAC name of 5-[[5-chloro-2-[2-methoxy-5-methyl-4-[4-(methylcarbamoyl)phenyl]anilino]pyrimidin-4-yl]amino]-1H-pyrazole-4-carboxamide;3-[[5-chloro-2-[2-methoxy-5-methyl-4-[4-(methylcarbamoyl)phenyl]anilino]pyrimidin-4-yl]amino]pyridine-2-carboxamide;4-[4-[[5-chloro-4-[(3-methyl-1,2-oxazol-5-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]-N-methylbenzamide (CID 157458663) is 5-[[5-chloro-2-[2-methoxy-5-methyl-4-[4-(methylcarbamoyl)phenyl]anilino]pyrimidin-4-yl]amino]-1H-pyrazole-4-carboxamide;3-[[5-chloro-2-[2-methoxy-5-methyl-4-[4-(methylcarbamoyl)phenyl]anilino]pyrimidin-4-yl]amino]pyridine-2-carboxamide;4-[4-[[5-chloro-4-[(3-methyl-1,2-oxazol-5-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]-N-methylbenzamide.

What is the SMILES notation for 5-[[5-chloro-2-[2-methoxy-5-methyl-4-[4-(methylcarbamoyl)phenyl]anilino]pyrimidin-4-yl]amino]-1H-pyrazole-4-carboxamide;3-[[5-chloro-2-[2-methoxy-5-methyl-4-[4-(methylcarbamoyl)phenyl]anilino]pyrimidin-4-yl]amino]pyridine-2-carboxamide;4-[4-[[5-chloro-4-[(3-methyl-1,2-oxazol-5-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]-N-methylbenzamide?

The canonical SMILES for 5-[[5-chloro-2-[2-methoxy-5-methyl-4-[4-(methylcarbamoyl)phenyl]anilino]pyrimidin-4-yl]amino]-1H-pyrazole-4-carboxamide;3-[[5-chloro-2-[2-methoxy-5-methyl-4-[4-(methylcarbamoyl)phenyl]anilino]pyrimidin-4-yl]amino]pyridine-2-carboxamide;4-[4-[[5-chloro-4-[(3-methyl-1,2-oxazol-5-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]-N-methylbenzamide is CNC(=O)c1ccc(-c2cc(F)c(Nc3ncc(Cl)c(Nc4cc(C)no4)n3)cc2C)cc1.CNC(=O)c1ccc(-c2cc(OC)c(Nc3ncc(Cl)c(Nc4[nH]ncc4C(N)=O)n3)cc2C)cc1.CNC(=O)c1ccc(-c2cc(OC)c(Nc3ncc(Cl)c(Nc4cccnc4C(N)=O)n3)cc2C)cc1.

What is the InChIKey of 5-[[5-chloro-2-[2-methoxy-5-methyl-4-[4-(methylcarbamoyl)phenyl]anilino]pyrimidin-4-yl]amino]-1H-pyrazole-4-carboxamide;3-[[5-chloro-2-[2-methoxy-5-methyl-4-[4-(methylcarbamoyl)phenyl]anilino]pyrimidin-4-yl]amino]pyridine-2-carboxamide;4-[4-[[5-chloro-4-[(3-methyl-1,2-oxazol-5-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]-N-methylbenzamide?

The InChIKey is BTQWUIOFMLSWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN7O3.C24H23ClN8O3.C23H20ClFN6O2/c1-14-11-20(21(37-3)12-17(14)15-6-8-16(9-7-15)25(36)29-2)33-26-31-13-18(27)24(34-26)32-19-5-4-10-30-22(19)23(28)35;1-12-8-18(19(36-3)9-15(12)13-4-6-14(7-5-13)23(35)27-2)30-24-28-11-17(25)22(32-24)31-21-16(20(26)34)10-29-33-21;1-12-8-19(18(25)10-16(12)14-4-6-15(7-5-14)22(32)26-3)28-23-27-11-17(24)21(30-23)29-20-9-13(2)31-33-20/h4-13H,1-3H3,(H2,28,35)(H,29,36)(H2,31,32,33,34);4-11H,1-3H3,(H2,26,34)(H,27,35)(H3,28,29,30,31,32,33);4-11H,1-3H3,(H,26,32)(H2,27,28,29,30).

What are the key properties of 5-[[5-chloro-2-[2-methoxy-5-methyl-4-[4-(methylcarbamoyl)phenyl]anilino]pyrimidin-4-yl]amino]-1H-pyrazole-4-carboxamide;3-[[5-chloro-2-[2-methoxy-5-methyl-4-[4-(methylcarbamoyl)phenyl]anilino]pyrimidin-4-yl]amino]pyridine-2-carboxamide;4-[4-[[5-chloro-4-[(3-methyl-1,2-oxazol-5-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]-N-methylbenzamide?

5-[[5-chloro-2-[2-methoxy-5-methyl-4-[4-(methylcarbamoyl)phenyl]anilino]pyrimidin-4-yl]amino]-1H-pyrazole-4-carboxamide;3-[[5-chloro-2-[2-methoxy-5-methyl-4-[4-(methylcarbamoyl)phenyl]anilino]pyrimidin-4-yl]amino]pyridine-2-carboxamide;4-[4-[[5-chloro-4-[(3-methyl-1,2-oxazol-5-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]-N-methylbenzamide has a molecular weight of 1491.83 g/mol, XLogP of 13.63, 22 rotatable bonds, 12 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[5-chloro-2-[2-methoxy-5-methyl-4-[4-(methylcarbamoyl)phenyl]anilino]pyrimidin-4-yl]amino]-1H-pyrazole-4-carboxamide;3-[[5-chloro-2-[2-methoxy-5-methyl-4-[4-(methylcarbamoyl)phenyl]anilino]pyrimidin-4-yl]amino]pyridine-2-carboxamide;4-[4-[[5-chloro-4-[(3-methyl-1,2-oxazol-5-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]-N-methylbenzamide is sourced from PubChem (CID 157458663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).