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-[6-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine

C75H58Cl2F8N22 — CID 157337387

IUPACN-[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-[6-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine
SMILESCCc1c(C)nc(-c2ccccc2C(F)(F)F)nc1Nc1n[nH]c2ccc(F)cc12.Cc1cc(Nc2[nH]nc3ncccc23)nc(-c2ccccc2C(F)(F)F)n1.Cc1cc(Nc2n[nH]c3ccc(F)cc23)nc(-c2ccccc2Cl)n1.Cc1nc(-c2ccccc2Cl)nc(Nc2[nH]nc3ncccc23)c1C
InChIInChI=1S/C21H17F4N5.C18H13ClFN5.C18H15ClN6.C18H13F3N6/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;1-10-9-14(25-17-12-6-4-8-22-15(12)26-27-17)24-16(23-10)11-5-2-3-7-13(11)18(19,20)21/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);2-9H,1H3,(H2,22,23,24,25,26,27)
InChIKeyBFZLUFRHEJKVDT-UHFFFAOYSA-N
MW1490.33 g/mol
LogP19.57
Rot. Bonds13

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-[6-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-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;N-[6-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine (PubChem CID 157337387) has the molecular formula C75H58Cl2F8N22 and a molecular weight of 1490.33 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;N-[6-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine.

Molecular Properties

Compound NameN-[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-[6-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine
PubChem CID157337387
Molecular FormulaC75H58Cl2F8N22
Molecular Weight1490.33 g/mol
Exact Mass1488.45
IUPAC NameN-[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-[6-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine
SMILESCCc1c(C)nc(-c2ccccc2C(F)(F)F)nc1Nc1n[nH]c2ccc(F)cc12.Cc1cc(Nc2[nH]nc3ncccc23)nc(-c2ccccc2C(F)(F)F)n1.Cc1cc(Nc2n[nH]c3ccc(F)cc23)nc(-c2ccccc2Cl)n1.Cc1nc(-c2ccccc2Cl)nc(Nc2[nH]nc3ncccc23)c1C
InChIInChI=1S/C21H17F4N5.C18H13ClFN5.C18H15ClN6.C18H13F3N6/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;1-10-9-14(25-17-12-6-4-8-22-15(12)26-27-17)24-16(23-10)11-5-2-3-7-13(11)18(19,20)21/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);2-9H,1H3,(H2,22,23,24,25,26,27)
InChIKeyBFZLUFRHEJKVDT-UHFFFAOYSA-N
XLogP19.57
TPSA291.74 Ų
H-Bond Donors8
H-Bond Acceptors18
Rotatable Bonds13
Heavy Atoms107
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001490.33
LogP ≤ 519.57
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1018

Analyze 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-[6-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine with MolForge

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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;N-[6-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-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;N-[6-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine (CID 157337387) 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;N-[6-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-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;N-[6-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-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;N-[6-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine is CCc1c(C)nc(-c2ccccc2C(F)(F)F)nc1Nc1n[nH]c2ccc(F)cc12.Cc1cc(Nc2[nH]nc3ncccc23)nc(-c2ccccc2C(F)(F)F)n1.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;N-[6-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine?
The InChIKey is BFZLUFRHEJKVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F4N5.C18H13ClFN5.C18H15ClN6.C18H13F3N6/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;1-10-9-14(25-17-12-6-4-8-22-15(12)26-27-17)24-16(23-10)11-5-2-3-7-13(11)18(19,20)21/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);2-9H,1H3,(H2,22,23,24,25,26,27).
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-[6-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-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;N-[6-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine has a molecular weight of 1490.33 g/mol, XLogP of 19.57, 13 rotatable bonds, 8 hydrogen bond donors, and 18 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;N-[6-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine is sourced from PubChem (CID 157337387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).