4-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-b]pyridin-1-yl]-4-methyl-1-phenylpentan-1-one;1-tert-butyl-3-(4-chlorophenyl)pyrazolo[3,4-b]pyridin-4-amine;1-tert-butyl-3-(4-methylphenyl)pyrazolo[3,4-b]pyridin-4-amine;1-tert-butyl-3-(naphthalen-1-ylmethyl)pyrazolo[3,4-b]pyridin-4-amine;1-tert-butyl-3-naphthalen-1-ylpyrazolo[3,4-b]pyridin-4-amine;methane

C100H109ClN20O — CID 158664051

About 4-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-b]pyridin-1-yl]-4-methyl-1-phenylpentan-1-one;1-tert-butyl-3-(4-chlorophenyl)pyrazolo[3,4-b]pyridin-4-amine;1-tert-butyl-3-(4-methylphenyl)pyrazolo[3,4-b]pyridin-4-amine;1-tert-butyl-3-(naphthalen-1-ylmethyl)pyrazolo[3,4-b]pyridin-4-amine;1-tert-butyl-3-naphthalen-1-ylpyrazolo[3,4-b]pyridin-4-amine;methane

4-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-b]pyridin-1-yl]-4-methyl-1-phenylpentan-1-one;1-tert-butyl-3-(4-chlorophenyl)pyrazolo[3,4-b]pyridin-4-amine;1-tert-butyl-3-(4-methylphenyl)pyrazolo[3,4-b]pyridin-4-amine;1-tert-butyl-3-(naphthalen-1-ylmethyl)pyrazolo[3,4-b]pyridin-4-amine;1-tert-butyl-3-naphthalen-1-ylpyrazolo[3,4-b]pyridin-4-amine;methane (PubChem CID 158664051) has the molecular formula C100H109ClN20O and a molecular weight of 1642.56 g/mol. Its IUPAC name is 4-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-b]pyridin-1-yl]-4-methyl-1-phenylpentan-1-one;1-tert-butyl-3-(4-chlorophenyl)pyrazolo[3,4-b]pyridin-4-amine;1-tert-butyl-3-(4-methylphenyl)pyrazolo[3,4-b]pyridin-4-amine;1-tert-butyl-3-(naphthalen-1-ylmethyl)pyrazolo[3,4-b]pyridin-4-amine;1-tert-butyl-3-naphthalen-1-ylpyrazolo[3,4-b]pyridin-4-amine;methane.

Molecular Properties

• Compound Name: 4-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-b]pyridin-1-yl]-4-methyl-1-phenylpentan-1-one;1-tert-butyl-3-(4-chlorophenyl)pyrazolo[3,4-b]pyridin-4-amine;1-tert-butyl-3-(4-methylphenyl)pyrazolo[3,4-b]pyridin-4-amine;1-tert-butyl-3-(naphthalen-1-ylmethyl)pyrazolo[3,4-b]pyridin-4-amine;1-tert-butyl-3-naphthalen-1-ylpyrazolo[3,4-b]pyridin-4-amine;methane
• PubChem CID: 158664051
• Molecular Formula: C100H109ClN20O
• Molecular Weight: 1642.56 g/mol
• Exact Mass: 1640.88
• IUPAC Name: 4-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-b]pyridin-1-yl]-4-methyl-1-phenylpentan-1-one;1-tert-butyl-3-(4-chlorophenyl)pyrazolo[3,4-b]pyridin-4-amine;1-tert-butyl-3-(4-methylphenyl)pyrazolo[3,4-b]pyridin-4-amine;1-tert-butyl-3-(naphthalen-1-ylmethyl)pyrazolo[3,4-b]pyridin-4-amine;1-tert-butyl-3-naphthalen-1-ylpyrazolo[3,4-b]pyridin-4-amine;methane
• SMILES: C.CC(C)(C)n1nc(-c2ccc(Cl)cc2)c2c(N)ccnc21.CC(C)(C)n1nc(-c2cccc3ccccc23)c2c(N)ccnc21.CC(C)(C)n1nc(Cc2cccc3ccccc23)c2c(N)ccnc21.Cc1ccc(-c2nn(C(C)(C)C)c3nccc(N)c23)cc1.Cc1ccc(-c2nn(C(C)(C)CCC(=O)c3ccccc3)c3nccc(N)c23)cc1
• InChI: InChI=1S/C25H26N4O.C21H22N4.C20H20N4.C17H20N4.C16H17ClN4.CH4/c1-17-9-11-19(12-10-17)23-22-20(26)14-16-27-24(22)29(28-23)25(2,3)15-13-21(30)18-7-5-4-6-8-18;1-21(2,3)25-20-19(17(22)11-12-23-20)18(24-25)13-15-9-6-8-14-7-4-5-10-16(14)15;1-20(2,3)24-19-17(16(21)11-12-22-19)18(23-24)15-10-6-8-13-7-4-5-9-14(13)15;1-11-5-7-12(8-6-11)15-14-13(18)9-10-19-16(14)21(20-15)17(2,3)4;1-16(2,3)21-15-13(12(18)8-9-19-15)14(20-21)10-4-6-11(17)7-5-10;/h4-12,14,16H,13,15H2,1-3H3,(H2,26,27);4-12H,13H2,1-3H3,(H2,22,23);4-12H,1-3H3,(H2,21,22);5-10H,1-4H3,(H2,18,19);4-9H,1-3H3,(H2,18,19);1H4
• InChIKey: IDCXPDCQUVPOFM-UHFFFAOYSA-N
• XLogP: 22.96
• TPSA: 300.72 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 21
• Rotatable Bonds: 11
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1642.56
LogP ≤ 5	22.96
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 4-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-b]pyridin-1-yl]-4-methyl-1-phenylpentan-1-one;1-tert-butyl-3-(4-chlorophenyl)pyrazolo[3,4-b]pyridin-4-amine;1-tert-butyl-3-(4-methylphenyl)pyrazolo[3,4-b]pyridin-4-amine;1-tert-butyl-3-(naphthalen-1-ylmethyl)pyrazolo[3,4-b]pyridin-4-amine;1-tert-butyl-3-naphthalen-1-ylpyrazolo[3,4-b]pyridin-4-amine;methane?

The IUPAC name of 4-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-b]pyridin-1-yl]-4-methyl-1-phenylpentan-1-one;1-tert-butyl-3-(4-chlorophenyl)pyrazolo[3,4-b]pyridin-4-amine;1-tert-butyl-3-(4-methylphenyl)pyrazolo[3,4-b]pyridin-4-amine;1-tert-butyl-3-(naphthalen-1-ylmethyl)pyrazolo[3,4-b]pyridin-4-amine;1-tert-butyl-3-naphthalen-1-ylpyrazolo[3,4-b]pyridin-4-amine;methane (CID 158664051) is 4-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-b]pyridin-1-yl]-4-methyl-1-phenylpentan-1-one;1-tert-butyl-3-(4-chlorophenyl)pyrazolo[3,4-b]pyridin-4-amine;1-tert-butyl-3-(4-methylphenyl)pyrazolo[3,4-b]pyridin-4-amine;1-tert-butyl-3-(naphthalen-1-ylmethyl)pyrazolo[3,4-b]pyridin-4-amine;1-tert-butyl-3-naphthalen-1-ylpyrazolo[3,4-b]pyridin-4-amine;methane.

What is the SMILES notation for 4-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-b]pyridin-1-yl]-4-methyl-1-phenylpentan-1-one;1-tert-butyl-3-(4-chlorophenyl)pyrazolo[3,4-b]pyridin-4-amine;1-tert-butyl-3-(4-methylphenyl)pyrazolo[3,4-b]pyridin-4-amine;1-tert-butyl-3-(naphthalen-1-ylmethyl)pyrazolo[3,4-b]pyridin-4-amine;1-tert-butyl-3-naphthalen-1-ylpyrazolo[3,4-b]pyridin-4-amine;methane?

The canonical SMILES for 4-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-b]pyridin-1-yl]-4-methyl-1-phenylpentan-1-one;1-tert-butyl-3-(4-chlorophenyl)pyrazolo[3,4-b]pyridin-4-amine;1-tert-butyl-3-(4-methylphenyl)pyrazolo[3,4-b]pyridin-4-amine;1-tert-butyl-3-(naphthalen-1-ylmethyl)pyrazolo[3,4-b]pyridin-4-amine;1-tert-butyl-3-naphthalen-1-ylpyrazolo[3,4-b]pyridin-4-amine;methane is C.CC(C)(C)n1nc(-c2ccc(Cl)cc2)c2c(N)ccnc21.CC(C)(C)n1nc(-c2cccc3ccccc23)c2c(N)ccnc21.CC(C)(C)n1nc(Cc2cccc3ccccc23)c2c(N)ccnc21.Cc1ccc(-c2nn(C(C)(C)C)c3nccc(N)c23)cc1.Cc1ccc(-c2nn(C(C)(C)CCC(=O)c3ccccc3)c3nccc(N)c23)cc1.

What is the InChIKey of 4-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-b]pyridin-1-yl]-4-methyl-1-phenylpentan-1-one;1-tert-butyl-3-(4-chlorophenyl)pyrazolo[3,4-b]pyridin-4-amine;1-tert-butyl-3-(4-methylphenyl)pyrazolo[3,4-b]pyridin-4-amine;1-tert-butyl-3-(naphthalen-1-ylmethyl)pyrazolo[3,4-b]pyridin-4-amine;1-tert-butyl-3-naphthalen-1-ylpyrazolo[3,4-b]pyridin-4-amine;methane?

The InChIKey is IDCXPDCQUVPOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O.C21H22N4.C20H20N4.C17H20N4.C16H17ClN4.CH4/c1-17-9-11-19(12-10-17)23-22-20(26)14-16-27-24(22)29(28-23)25(2,3)15-13-21(30)18-7-5-4-6-8-18;1-21(2,3)25-20-19(17(22)11-12-23-20)18(24-25)13-15-9-6-8-14-7-4-5-10-16(14)15;1-20(2,3)24-19-17(16(21)11-12-22-19)18(23-24)15-10-6-8-13-7-4-5-9-14(13)15;1-11-5-7-12(8-6-11)15-14-13(18)9-10-19-16(14)21(20-15)17(2,3)4;1-16(2,3)21-15-13(12(18)8-9-19-15)14(20-21)10-4-6-11(17)7-5-10;/h4-12,14,16H,13,15H2,1-3H3,(H2,26,27);4-12H,13H2,1-3H3,(H2,22,23);4-12H,1-3H3,(H2,21,22);5-10H,1-4H3,(H2,18,19);4-9H,1-3H3,(H2,18,19);1H4.

What are the key properties of 4-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-b]pyridin-1-yl]-4-methyl-1-phenylpentan-1-one;1-tert-butyl-3-(4-chlorophenyl)pyrazolo[3,4-b]pyridin-4-amine;1-tert-butyl-3-(4-methylphenyl)pyrazolo[3,4-b]pyridin-4-amine;1-tert-butyl-3-(naphthalen-1-ylmethyl)pyrazolo[3,4-b]pyridin-4-amine;1-tert-butyl-3-naphthalen-1-ylpyrazolo[3,4-b]pyridin-4-amine;methane?

4-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-b]pyridin-1-yl]-4-methyl-1-phenylpentan-1-one;1-tert-butyl-3-(4-chlorophenyl)pyrazolo[3,4-b]pyridin-4-amine;1-tert-butyl-3-(4-methylphenyl)pyrazolo[3,4-b]pyridin-4-amine;1-tert-butyl-3-(naphthalen-1-ylmethyl)pyrazolo[3,4-b]pyridin-4-amine;1-tert-butyl-3-naphthalen-1-ylpyrazolo[3,4-b]pyridin-4-amine;methane has a molecular weight of 1642.56 g/mol, XLogP of 22.96, 11 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-b]pyridin-1-yl]-4-methyl-1-phenylpentan-1-one;1-tert-butyl-3-(4-chlorophenyl)pyrazolo[3,4-b]pyridin-4-amine;1-tert-butyl-3-(4-methylphenyl)pyrazolo[3,4-b]pyridin-4-amine;1-tert-butyl-3-(naphthalen-1-ylmethyl)pyrazolo[3,4-b]pyridin-4-amine;1-tert-butyl-3-naphthalen-1-ylpyrazolo[3,4-b]pyridin-4-amine;methane is sourced from PubChem (CID 158664051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).