N-[2-(2-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[2-(2-chlorophenyl)-6-methylpyrimidin-4-yl]-5-fluoro-1H-indazol-3-amine;N-[5-ethyl-6-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-5-fluoro-1H-indazol-3-amine

C57H45Cl2F5N16 — CID 159213868

About N-[2-(2-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[2-(2-chlorophenyl)-6-methylpyrimidin-4-yl]-5-fluoro-1H-indazol-3-amine;N-[5-ethyl-6-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-5-fluoro-1H-indazol-3-amine

N-[2-(2-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[2-(2-chlorophenyl)-6-methylpyrimidin-4-yl]-5-fluoro-1H-indazol-3-amine;N-[5-ethyl-6-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-5-fluoro-1H-indazol-3-amine (PubChem CID 159213868) has the molecular formula C57H45Cl2F5N16 and a molecular weight of 1119.99 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[2-(2-chlorophenyl)-6-methylpyrimidin-4-yl]-5-fluoro-1H-indazol-3-amine;N-[5-ethyl-6-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-5-fluoro-1H-indazol-3-amine.

Molecular Properties

• Compound Name: N-[2-(2-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[2-(2-chlorophenyl)-6-methylpyrimidin-4-yl]-5-fluoro-1H-indazol-3-amine;N-[5-ethyl-6-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-5-fluoro-1H-indazol-3-amine
• PubChem CID: 159213868
• Molecular Formula: C57H45Cl2F5N16
• Molecular Weight: 1119.99 g/mol
• Exact Mass: 1118.33
• IUPAC Name: N-[2-(2-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[2-(2-chlorophenyl)-6-methylpyrimidin-4-yl]-5-fluoro-1H-indazol-3-amine;N-[5-ethyl-6-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-5-fluoro-1H-indazol-3-amine
• SMILES: CCc1c(C)nc(-c2ccccc2C(F)(F)F)nc1Nc1n[nH]c2ccc(F)cc12.Cc1cc(Nc2n[nH]c3ccc(F)cc23)nc(-c2ccccc2Cl)n1.Cc1nc(-c2ccccc2Cl)nc(Nc2[nH]nc3ncccc23)c1C
• InChI: InChI=1S/C21H17F4N5.C18H13ClFN5.C18H15ClN6/c1-3-13-11(2)26-19(14-6-4-5-7-16(14)21(23,24)25)27-18(13)28-20-15-10-12(22)8-9-17(15)29-30-20;1-10-8-16(22-17(21-10)12-4-2-3-5-14(12)19)23-18-13-9-11(20)6-7-15(13)24-25-18;1-10-11(2)21-17(12-6-3-4-8-14(12)19)22-15(10)23-18-13-7-5-9-20-16(13)24-25-18/h4-10H,3H2,1-2H3,(H2,26,27,28,29,30);2-9H,1H3,(H2,21,22,23,24,25);3-9H,1-2H3,(H2,20,21,22,23,24,25)
• InChIKey: KQVFDGGDCRYGEQ-UHFFFAOYSA-N
• XLogP: 15.09
• TPSA: 212.36 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 13
• Rotatable Bonds: 10
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1119.99
LogP ≤ 5	15.09
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[2-(2-chlorophenyl)-6-methylpyrimidin-4-yl]-5-fluoro-1H-indazol-3-amine;N-[5-ethyl-6-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-5-fluoro-1H-indazol-3-amine?

The IUPAC name of N-[2-(2-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[2-(2-chlorophenyl)-6-methylpyrimidin-4-yl]-5-fluoro-1H-indazol-3-amine;N-[5-ethyl-6-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-5-fluoro-1H-indazol-3-amine (CID 159213868) is N-[2-(2-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[2-(2-chlorophenyl)-6-methylpyrimidin-4-yl]-5-fluoro-1H-indazol-3-amine;N-[5-ethyl-6-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-5-fluoro-1H-indazol-3-amine.

What is the SMILES notation for N-[2-(2-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[2-(2-chlorophenyl)-6-methylpyrimidin-4-yl]-5-fluoro-1H-indazol-3-amine;N-[5-ethyl-6-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-5-fluoro-1H-indazol-3-amine?

The canonical SMILES for N-[2-(2-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[2-(2-chlorophenyl)-6-methylpyrimidin-4-yl]-5-fluoro-1H-indazol-3-amine;N-[5-ethyl-6-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-5-fluoro-1H-indazol-3-amine is CCc1c(C)nc(-c2ccccc2C(F)(F)F)nc1Nc1n[nH]c2ccc(F)cc12.Cc1cc(Nc2n[nH]c3ccc(F)cc23)nc(-c2ccccc2Cl)n1.Cc1nc(-c2ccccc2Cl)nc(Nc2[nH]nc3ncccc23)c1C.

What is the InChIKey of N-[2-(2-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[2-(2-chlorophenyl)-6-methylpyrimidin-4-yl]-5-fluoro-1H-indazol-3-amine;N-[5-ethyl-6-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-5-fluoro-1H-indazol-3-amine?

The InChIKey is KQVFDGGDCRYGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F4N5.C18H13ClFN5.C18H15ClN6/c1-3-13-11(2)26-19(14-6-4-5-7-16(14)21(23,24)25)27-18(13)28-20-15-10-12(22)8-9-17(15)29-30-20;1-10-8-16(22-17(21-10)12-4-2-3-5-14(12)19)23-18-13-9-11(20)6-7-15(13)24-25-18;1-10-11(2)21-17(12-6-3-4-8-14(12)19)22-15(10)23-18-13-7-5-9-20-16(13)24-25-18/h4-10H,3H2,1-2H3,(H2,26,27,28,29,30);2-9H,1H3,(H2,21,22,23,24,25);3-9H,1-2H3,(H2,20,21,22,23,24,25).

What are the key properties of N-[2-(2-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[2-(2-chlorophenyl)-6-methylpyrimidin-4-yl]-5-fluoro-1H-indazol-3-amine;N-[5-ethyl-6-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-5-fluoro-1H-indazol-3-amine?

N-[2-(2-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[2-(2-chlorophenyl)-6-methylpyrimidin-4-yl]-5-fluoro-1H-indazol-3-amine;N-[5-ethyl-6-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-5-fluoro-1H-indazol-3-amine has a molecular weight of 1119.99 g/mol, XLogP of 15.09, 10 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(2-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[2-(2-chlorophenyl)-6-methylpyrimidin-4-yl]-5-fluoro-1H-indazol-3-amine;N-[5-ethyl-6-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-5-fluoro-1H-indazol-3-amine is sourced from PubChem (CID 159213868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).