1-(2-chloro-6-methyl-4-pyridinyl)-3-[[3-(dimethylamino)-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]-methylamino]propan-2-one;4-(2-chloro-6-methyl-4-pyridinyl)-1-(1,3-dimethyl-4-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)butane-1,3-dione;1-(2-chloro-6-methyl-4-pyridinyl)-3-[(1,3-dimethyl-4-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)-methylamino]propan-2-one;1-(2-chloro-6-methyl-4-pyridinyl)-3-[[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]amino]propan-2-one;1-(2-chloro-6-methyl-4-pyridinyl)-3-[[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]-methylamino]propan-2-one

C99H110Cl5F6N25O6 — CID 160869435

About 1-(2-chloro-6-methyl-4-pyridinyl)-3-[[3-(dimethylamino)-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]-methylamino]propan-2-one;4-(2-chloro-6-methyl-4-pyridinyl)-1-(1,3-dimethyl-4-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)butane-1,3-dione;1-(2-chloro-6-methyl-4-pyridinyl)-3-[(1,3-dimethyl-4-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)-methylamino]propan-2-one;1-(2-chloro-6-methyl-4-pyridinyl)-3-[[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]amino]propan-2-one;1-(2-chloro-6-methyl-4-pyridinyl)-3-[[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]-methylamino]propan-2-one

1-(2-chloro-6-methyl-4-pyridinyl)-3-[[3-(dimethylamino)-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]-methylamino]propan-2-one;4-(2-chloro-6-methyl-4-pyridinyl)-1-(1,3-dimethyl-4-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)butane-1,3-dione;1-(2-chloro-6-methyl-4-pyridinyl)-3-[(1,3-dimethyl-4-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)-methylamino]propan-2-one;1-(2-chloro-6-methyl-4-pyridinyl)-3-[[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]amino]propan-2-one;1-(2-chloro-6-methyl-4-pyridinyl)-3-[[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]-methylamino]propan-2-one (PubChem CID 160869435) has the molecular formula C99H110Cl5F6N25O6 and a molecular weight of 2037.39 g/mol. Its IUPAC name is 1-(2-chloro-6-methyl-4-pyridinyl)-3-[[3-(dimethylamino)-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]-methylamino]propan-2-one;4-(2-chloro-6-methyl-4-pyridinyl)-1-(1,3-dimethyl-4-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)butane-1,3-dione;1-(2-chloro-6-methyl-4-pyridinyl)-3-[(1,3-dimethyl-4-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)-methylamino]propan-2-one;1-(2-chloro-6-methyl-4-pyridinyl)-3-[[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]amino]propan-2-one;1-(2-chloro-6-methyl-4-pyridinyl)-3-[[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]-methylamino]propan-2-one.

Molecular Properties

• Compound Name: 1-(2-chloro-6-methyl-4-pyridinyl)-3-[[3-(dimethylamino)-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]-methylamino]propan-2-one;4-(2-chloro-6-methyl-4-pyridinyl)-1-(1,3-dimethyl-4-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)butane-1,3-dione;1-(2-chloro-6-methyl-4-pyridinyl)-3-[(1,3-dimethyl-4-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)-methylamino]propan-2-one;1-(2-chloro-6-methyl-4-pyridinyl)-3-[[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]amino]propan-2-one;1-(2-chloro-6-methyl-4-pyridinyl)-3-[[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]-methylamino]propan-2-one
• PubChem CID: 160869435
• Molecular Formula: C99H110Cl5F6N25O6
• Molecular Weight: 2037.39 g/mol
• Exact Mass: 2033.74
• IUPAC Name: 1-(2-chloro-6-methyl-4-pyridinyl)-3-[[3-(dimethylamino)-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]-methylamino]propan-2-one;4-(2-chloro-6-methyl-4-pyridinyl)-1-(1,3-dimethyl-4-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)butane-1,3-dione;1-(2-chloro-6-methyl-4-pyridinyl)-3-[(1,3-dimethyl-4-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)-methylamino]propan-2-one;1-(2-chloro-6-methyl-4-pyridinyl)-3-[[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]amino]propan-2-one;1-(2-chloro-6-methyl-4-pyridinyl)-3-[[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]-methylamino]propan-2-one
• SMILES: Cc1cc(CC(=O)CC(=O)c2cc(C(C)C)c3c(C)nn(C)c3n2)cc(Cl)n1.Cc1cc(CC(=O)CN(C)c2cc(C(C)C)c3c(C)nn(C)c3n2)cc(Cl)n1.Cc1cc(CC(=O)CN(C)c2cc(C(F)(F)F)c3c(C)nn(C)c3n2)cc(Cl)n1.Cc1cc(CC(=O)CN(C)c2cc(C)c3c(N(C)C)nn(C)c3n2)cc(Cl)n1.Cc1cc(CC(=O)CNc2cc(C(F)(F)F)c3c(C)nn(C)c3n2)cc(Cl)n1
• InChI: InChI=1S/C21H26ClN5O.C21H23ClN4O2.C20H25ClN6O.C19H19ClF3N5O.C18H17ClF3N5O/c1-12(2)17-10-19(24-21-20(17)14(4)25-27(21)6)26(5)11-16(28)8-15-7-13(3)23-18(22)9-15;1-11(2)16-10-17(24-21-20(16)13(4)25-26(21)5)18(28)9-15(27)7-14-6-12(3)23-19(22)8-14;1-12-7-17(23-19-18(12)20(25(3)4)24-27(19)6)26(5)11-15(28)9-14-8-13(2)22-16(21)10-14;1-10-5-12(7-15(20)24-10)6-13(29)9-27(3)16-8-14(19(21,22)23)17-11(2)26-28(4)18(17)25-16;1-9-4-11(6-14(19)24-9)5-12(28)8-23-15-7-13(18(20,21)22)16-10(2)26-27(3)17(16)25-15/h7,9-10,12H,8,11H2,1-6H3;6,8,10-11H,7,9H2,1-5H3;7-8,10H,9,11H2,1-6H3;5,7-8H,6,9H2,1-4H3;4,6-7H,5,8H2,1-3H3,(H,23,25)
• InChIKey: SLOIILXKGYEOEG-UHFFFAOYSA-N
• XLogP: 18.87
• TPSA: 345.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 31
• Rotatable Bonds: 28
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2037.39
LogP ≤ 5	18.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-methyl-4-pyridinyl)-3-[[3-(dimethylamino)-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]-methylamino]propan-2-one;4-(2-chloro-6-methyl-4-pyridinyl)-1-(1,3-dimethyl-4-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)butane-1,3-dione;1-(2-chloro-6-methyl-4-pyridinyl)-3-[(1,3-dimethyl-4-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)-methylamino]propan-2-one;1-(2-chloro-6-methyl-4-pyridinyl)-3-[[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]amino]propan-2-one;1-(2-chloro-6-methyl-4-pyridinyl)-3-[[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]-methylamino]propan-2-one?

The IUPAC name of 1-(2-chloro-6-methyl-4-pyridinyl)-3-[[3-(dimethylamino)-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]-methylamino]propan-2-one;4-(2-chloro-6-methyl-4-pyridinyl)-1-(1,3-dimethyl-4-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)butane-1,3-dione;1-(2-chloro-6-methyl-4-pyridinyl)-3-[(1,3-dimethyl-4-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)-methylamino]propan-2-one;1-(2-chloro-6-methyl-4-pyridinyl)-3-[[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]amino]propan-2-one;1-(2-chloro-6-methyl-4-pyridinyl)-3-[[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]-methylamino]propan-2-one (CID 160869435) is 1-(2-chloro-6-methyl-4-pyridinyl)-3-[[3-(dimethylamino)-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]-methylamino]propan-2-one;4-(2-chloro-6-methyl-4-pyridinyl)-1-(1,3-dimethyl-4-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)butane-1,3-dione;1-(2-chloro-6-methyl-4-pyridinyl)-3-[(1,3-dimethyl-4-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)-methylamino]propan-2-one;1-(2-chloro-6-methyl-4-pyridinyl)-3-[[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]amino]propan-2-one;1-(2-chloro-6-methyl-4-pyridinyl)-3-[[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]-methylamino]propan-2-one.

What is the SMILES notation for 1-(2-chloro-6-methyl-4-pyridinyl)-3-[[3-(dimethylamino)-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]-methylamino]propan-2-one;4-(2-chloro-6-methyl-4-pyridinyl)-1-(1,3-dimethyl-4-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)butane-1,3-dione;1-(2-chloro-6-methyl-4-pyridinyl)-3-[(1,3-dimethyl-4-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)-methylamino]propan-2-one;1-(2-chloro-6-methyl-4-pyridinyl)-3-[[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]amino]propan-2-one;1-(2-chloro-6-methyl-4-pyridinyl)-3-[[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]-methylamino]propan-2-one?

The canonical SMILES for 1-(2-chloro-6-methyl-4-pyridinyl)-3-[[3-(dimethylamino)-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]-methylamino]propan-2-one;4-(2-chloro-6-methyl-4-pyridinyl)-1-(1,3-dimethyl-4-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)butane-1,3-dione;1-(2-chloro-6-methyl-4-pyridinyl)-3-[(1,3-dimethyl-4-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)-methylamino]propan-2-one;1-(2-chloro-6-methyl-4-pyridinyl)-3-[[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]amino]propan-2-one;1-(2-chloro-6-methyl-4-pyridinyl)-3-[[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]-methylamino]propan-2-one is Cc1cc(CC(=O)CC(=O)c2cc(C(C)C)c3c(C)nn(C)c3n2)cc(Cl)n1.Cc1cc(CC(=O)CN(C)c2cc(C(C)C)c3c(C)nn(C)c3n2)cc(Cl)n1.Cc1cc(CC(=O)CN(C)c2cc(C(F)(F)F)c3c(C)nn(C)c3n2)cc(Cl)n1.Cc1cc(CC(=O)CN(C)c2cc(C)c3c(N(C)C)nn(C)c3n2)cc(Cl)n1.Cc1cc(CC(=O)CNc2cc(C(F)(F)F)c3c(C)nn(C)c3n2)cc(Cl)n1.

What is the InChIKey of 1-(2-chloro-6-methyl-4-pyridinyl)-3-[[3-(dimethylamino)-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]-methylamino]propan-2-one;4-(2-chloro-6-methyl-4-pyridinyl)-1-(1,3-dimethyl-4-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)butane-1,3-dione;1-(2-chloro-6-methyl-4-pyridinyl)-3-[(1,3-dimethyl-4-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)-methylamino]propan-2-one;1-(2-chloro-6-methyl-4-pyridinyl)-3-[[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]amino]propan-2-one;1-(2-chloro-6-methyl-4-pyridinyl)-3-[[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]-methylamino]propan-2-one?

The InChIKey is SLOIILXKGYEOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN5O.C21H23ClN4O2.C20H25ClN6O.C19H19ClF3N5O.C18H17ClF3N5O/c1-12(2)17-10-19(24-21-20(17)14(4)25-27(21)6)26(5)11-16(28)8-15-7-13(3)23-18(22)9-15;1-11(2)16-10-17(24-21-20(16)13(4)25-26(21)5)18(28)9-15(27)7-14-6-12(3)23-19(22)8-14;1-12-7-17(23-19-18(12)20(25(3)4)24-27(19)6)26(5)11-15(28)9-14-8-13(2)22-16(21)10-14;1-10-5-12(7-15(20)24-10)6-13(29)9-27(3)16-8-14(19(21,22)23)17-11(2)26-28(4)18(17)25-16;1-9-4-11(6-14(19)24-9)5-12(28)8-23-15-7-13(18(20,21)22)16-10(2)26-27(3)17(16)25-15/h7,9-10,12H,8,11H2,1-6H3;6,8,10-11H,7,9H2,1-5H3;7-8,10H,9,11H2,1-6H3;5,7-8H,6,9H2,1-4H3;4,6-7H,5,8H2,1-3H3,(H,23,25).

What are the key properties of 1-(2-chloro-6-methyl-4-pyridinyl)-3-[[3-(dimethylamino)-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]-methylamino]propan-2-one;4-(2-chloro-6-methyl-4-pyridinyl)-1-(1,3-dimethyl-4-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)butane-1,3-dione;1-(2-chloro-6-methyl-4-pyridinyl)-3-[(1,3-dimethyl-4-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)-methylamino]propan-2-one;1-(2-chloro-6-methyl-4-pyridinyl)-3-[[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]amino]propan-2-one;1-(2-chloro-6-methyl-4-pyridinyl)-3-[[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]-methylamino]propan-2-one?

1-(2-chloro-6-methyl-4-pyridinyl)-3-[[3-(dimethylamino)-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]-methylamino]propan-2-one;4-(2-chloro-6-methyl-4-pyridinyl)-1-(1,3-dimethyl-4-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)butane-1,3-dione;1-(2-chloro-6-methyl-4-pyridinyl)-3-[(1,3-dimethyl-4-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)-methylamino]propan-2-one;1-(2-chloro-6-methyl-4-pyridinyl)-3-[[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]amino]propan-2-one;1-(2-chloro-6-methyl-4-pyridinyl)-3-[[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]-methylamino]propan-2-one has a molecular weight of 2037.39 g/mol, XLogP of 18.87, 28 rotatable bonds, 1 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-chloro-6-methyl-4-pyridinyl)-3-[[3-(dimethylamino)-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]-methylamino]propan-2-one;4-(2-chloro-6-methyl-4-pyridinyl)-1-(1,3-dimethyl-4-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)butane-1,3-dione;1-(2-chloro-6-methyl-4-pyridinyl)-3-[(1,3-dimethyl-4-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)-methylamino]propan-2-one;1-(2-chloro-6-methyl-4-pyridinyl)-3-[[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]amino]propan-2-one;1-(2-chloro-6-methyl-4-pyridinyl)-3-[[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]-methylamino]propan-2-one is sourced from PubChem (CID 160869435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).