N-(2-cycloheptyl-5,6-dimethylpyrimidin-4-yl)-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;N-(2-cycloheptyl-6-methylpyrimidin-4-yl)-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[2-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-yl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[5,6-dimethyl-2-(oxan-4-yl)pyrimidin-4-yl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;5-fluoro-N-[6-methyl-2-(oxan-4-yl)pyrimidin-4-yl]-1H-indazol-3-amine;5-fluoro-N-[6-methyl-2-(oxan-4-yl)pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine

C104H115F8N35O3 — CID 159001659

About N-(2-cycloheptyl-5,6-dimethylpyrimidin-4-yl)-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;N-(2-cycloheptyl-6-methylpyrimidin-4-yl)-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[2-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-yl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[5,6-dimethyl-2-(oxan-4-yl)pyrimidin-4-yl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;5-fluoro-N-[6-methyl-2-(oxan-4-yl)pyrimidin-4-yl]-1H-indazol-3-amine;5-fluoro-N-[6-methyl-2-(oxan-4-yl)pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine

N-(2-cycloheptyl-5,6-dimethylpyrimidin-4-yl)-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;N-(2-cycloheptyl-6-methylpyrimidin-4-yl)-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[2-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-yl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[5,6-dimethyl-2-(oxan-4-yl)pyrimidin-4-yl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;5-fluoro-N-[6-methyl-2-(oxan-4-yl)pyrimidin-4-yl]-1H-indazol-3-amine;5-fluoro-N-[6-methyl-2-(oxan-4-yl)pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine (PubChem CID 159001659) has the molecular formula C104H115F8N35O3 and a molecular weight of 2055.29 g/mol. Its IUPAC name is N-(2-cycloheptyl-5,6-dimethylpyrimidin-4-yl)-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;N-(2-cycloheptyl-6-methylpyrimidin-4-yl)-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[2-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-yl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[5,6-dimethyl-2-(oxan-4-yl)pyrimidin-4-yl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;5-fluoro-N-[6-methyl-2-(oxan-4-yl)pyrimidin-4-yl]-1H-indazol-3-amine;5-fluoro-N-[6-methyl-2-(oxan-4-yl)pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine.

Molecular Properties

• Compound Name: N-(2-cycloheptyl-5,6-dimethylpyrimidin-4-yl)-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;N-(2-cycloheptyl-6-methylpyrimidin-4-yl)-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[2-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-yl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[5,6-dimethyl-2-(oxan-4-yl)pyrimidin-4-yl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;5-fluoro-N-[6-methyl-2-(oxan-4-yl)pyrimidin-4-yl]-1H-indazol-3-amine;5-fluoro-N-[6-methyl-2-(oxan-4-yl)pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine
• PubChem CID: 159001659
• Molecular Formula: C104H115F8N35O3
• Molecular Weight: 2055.29 g/mol
• Exact Mass: 2053.98
• IUPAC Name: N-(2-cycloheptyl-5,6-dimethylpyrimidin-4-yl)-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;N-(2-cycloheptyl-6-methylpyrimidin-4-yl)-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[2-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-yl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[5,6-dimethyl-2-(oxan-4-yl)pyrimidin-4-yl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;5-fluoro-N-[6-methyl-2-(oxan-4-yl)pyrimidin-4-yl]-1H-indazol-3-amine;5-fluoro-N-[6-methyl-2-(oxan-4-yl)pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine
• SMILES: Cc1cc(Nc2[nH]nc3ncc(F)cc23)nc(C2CCC(F)(F)CC2)n1.Cc1cc(Nc2[nH]nc3ncc(F)cc23)nc(C2CCCCCC2)n1.Cc1cc(Nc2[nH]nc3ncc(F)cc23)nc(C2CCOCC2)n1.Cc1cc(Nc2n[nH]c3ccc(F)cc23)nc(C2CCOCC2)n1.Cc1nc(C2CCCCCC2)nc(Nc2[nH]nc3ncc(F)cc23)c1C.Cc1nc(C2CCOCC2)nc(Nc2[nH]nc3ncc(F)cc23)c1C
• InChI: InChI=1S/C19H23FN6.C18H21FN6.C17H17F3N6.C17H19FN6O.C17H18FN5O.C16H17FN6O/c1-11-12(2)22-17(13-7-5-3-4-6-8-13)23-16(11)24-19-15-9-14(20)10-21-18(15)25-26-19;1-11-8-15(22-16(21-11)12-6-4-2-3-5-7-12)23-18-14-9-13(19)10-20-17(14)24-25-18;1-9-6-13(23-14(22-9)10-2-4-17(19,20)5-3-10)24-16-12-7-11(18)8-21-15(12)25-26-16;1-9-10(2)20-15(11-3-5-25-6-4-11)21-14(9)22-17-13-7-12(18)8-19-16(13)23-24-17;1-10-8-15(20-16(19-10)11-4-6-24-7-5-11)21-17-13-9-12(18)2-3-14(13)22-23-17;1-9-6-13(20-14(19-9)10-2-4-24-5-3-10)21-16-12-7-11(17)8-18-15(12)22-23-16/h9-10,13H,3-8H2,1-2H3,(H2,21,22,23,24,25,26);8-10,12H,2-7H2,1H3,(H2,20,21,22,23,24,25);6-8,10H,2-5H2,1H3,(H2,21,22,23,24,25,26);7-8,11H,3-6H2,1-2H3,(H2,19,20,21,22,23,24);2-3,8-9,11H,4-7H2,1H3,(H2,19,20,21,22,23);6-8,10H,2-5H2,1H3,(H2,18,19,20,21,22,23)
• InChIKey: JRKFTVDCDYPCKY-UHFFFAOYSA-N
• XLogP: 22.71
• TPSA: 491.08 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 32
• Rotatable Bonds: 18
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2055.29
LogP ≤ 5	22.71
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

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

The IUPAC name of N-(2-cycloheptyl-5,6-dimethylpyrimidin-4-yl)-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;N-(2-cycloheptyl-6-methylpyrimidin-4-yl)-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[2-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-yl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[5,6-dimethyl-2-(oxan-4-yl)pyrimidin-4-yl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;5-fluoro-N-[6-methyl-2-(oxan-4-yl)pyrimidin-4-yl]-1H-indazol-3-amine;5-fluoro-N-[6-methyl-2-(oxan-4-yl)pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine (CID 159001659) is N-(2-cycloheptyl-5,6-dimethylpyrimidin-4-yl)-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;N-(2-cycloheptyl-6-methylpyrimidin-4-yl)-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[2-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-yl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[5,6-dimethyl-2-(oxan-4-yl)pyrimidin-4-yl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;5-fluoro-N-[6-methyl-2-(oxan-4-yl)pyrimidin-4-yl]-1H-indazol-3-amine;5-fluoro-N-[6-methyl-2-(oxan-4-yl)pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine.

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

The canonical SMILES for N-(2-cycloheptyl-5,6-dimethylpyrimidin-4-yl)-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;N-(2-cycloheptyl-6-methylpyrimidin-4-yl)-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[2-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-yl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[5,6-dimethyl-2-(oxan-4-yl)pyrimidin-4-yl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;5-fluoro-N-[6-methyl-2-(oxan-4-yl)pyrimidin-4-yl]-1H-indazol-3-amine;5-fluoro-N-[6-methyl-2-(oxan-4-yl)pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine is Cc1cc(Nc2[nH]nc3ncc(F)cc23)nc(C2CCC(F)(F)CC2)n1.Cc1cc(Nc2[nH]nc3ncc(F)cc23)nc(C2CCCCCC2)n1.Cc1cc(Nc2[nH]nc3ncc(F)cc23)nc(C2CCOCC2)n1.Cc1cc(Nc2n[nH]c3ccc(F)cc23)nc(C2CCOCC2)n1.Cc1nc(C2CCCCCC2)nc(Nc2[nH]nc3ncc(F)cc23)c1C.Cc1nc(C2CCOCC2)nc(Nc2[nH]nc3ncc(F)cc23)c1C.

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

The InChIKey is JRKFTVDCDYPCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN6.C18H21FN6.C17H17F3N6.C17H19FN6O.C17H18FN5O.C16H17FN6O/c1-11-12(2)22-17(13-7-5-3-4-6-8-13)23-16(11)24-19-15-9-14(20)10-21-18(15)25-26-19;1-11-8-15(22-16(21-11)12-6-4-2-3-5-7-12)23-18-14-9-13(19)10-20-17(14)24-25-18;1-9-6-13(23-14(22-9)10-2-4-17(19,20)5-3-10)24-16-12-7-11(18)8-21-15(12)25-26-16;1-9-10(2)20-15(11-3-5-25-6-4-11)21-14(9)22-17-13-7-12(18)8-19-16(13)23-24-17;1-10-8-15(20-16(19-10)11-4-6-24-7-5-11)21-17-13-9-12(18)2-3-14(13)22-23-17;1-9-6-13(20-14(19-9)10-2-4-24-5-3-10)21-16-12-7-11(17)8-18-15(12)22-23-16/h9-10,13H,3-8H2,1-2H3,(H2,21,22,23,24,25,26);8-10,12H,2-7H2,1H3,(H2,20,21,22,23,24,25);6-8,10H,2-5H2,1H3,(H2,21,22,23,24,25,26);7-8,11H,3-6H2,1-2H3,(H2,19,20,21,22,23,24);2-3,8-9,11H,4-7H2,1H3,(H2,19,20,21,22,23);6-8,10H,2-5H2,1H3,(H2,18,19,20,21,22,23).

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

N-(2-cycloheptyl-5,6-dimethylpyrimidin-4-yl)-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;N-(2-cycloheptyl-6-methylpyrimidin-4-yl)-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[2-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-yl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[5,6-dimethyl-2-(oxan-4-yl)pyrimidin-4-yl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;5-fluoro-N-[6-methyl-2-(oxan-4-yl)pyrimidin-4-yl]-1H-indazol-3-amine;5-fluoro-N-[6-methyl-2-(oxan-4-yl)pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine has a molecular weight of 2055.29 g/mol, XLogP of 22.71, 18 rotatable bonds, 12 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-cycloheptyl-5,6-dimethylpyrimidin-4-yl)-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;N-(2-cycloheptyl-6-methylpyrimidin-4-yl)-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[2-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-yl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[5,6-dimethyl-2-(oxan-4-yl)pyrimidin-4-yl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;5-fluoro-N-[6-methyl-2-(oxan-4-yl)pyrimidin-4-yl]-1H-indazol-3-amine;5-fluoro-N-[6-methyl-2-(oxan-4-yl)pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine is sourced from PubChem (CID 159001659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).