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

C94H95Cl9F6IN25O6 — CID 161249309

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

1-(2-chloro-6-iodo-4-pyridinyl)-3-[(1,3-dimethyl-4-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)-methylamino]propan-2-one;1-(2,6-dichloro-4-pyridinyl)-3-[[3-(dimethylamino)-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]-methylamino]propan-2-one;4-(2,6-dichloro-4-pyridinyl)-1-(1,3-dimethyl-4-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)butane-1,3-dione;1-(2,6-dichloro-4-pyridinyl)-3-[[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]amino]propan-2-one;1-(2,6-dichloro-4-pyridinyl)-3-[[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]-methylamino]propan-2-one (PubChem CID 161249309) has the molecular formula C94H95Cl9F6IN25O6 and a molecular weight of 2230.93 g/mol. Its IUPAC name is 1-(2-chloro-6-iodo-4-pyridinyl)-3-[(1,3-dimethyl-4-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)-methylamino]propan-2-one;1-(2,6-dichloro-4-pyridinyl)-3-[[3-(dimethylamino)-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]-methylamino]propan-2-one;4-(2,6-dichloro-4-pyridinyl)-1-(1,3-dimethyl-4-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)butane-1,3-dione;1-(2,6-dichloro-4-pyridinyl)-3-[[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]amino]propan-2-one;1-(2,6-dichloro-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-iodo-4-pyridinyl)-3-[(1,3-dimethyl-4-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)-methylamino]propan-2-one;1-(2,6-dichloro-4-pyridinyl)-3-[[3-(dimethylamino)-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]-methylamino]propan-2-one;4-(2,6-dichloro-4-pyridinyl)-1-(1,3-dimethyl-4-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)butane-1,3-dione;1-(2,6-dichloro-4-pyridinyl)-3-[[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]amino]propan-2-one;1-(2,6-dichloro-4-pyridinyl)-3-[[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]-methylamino]propan-2-one
• PubChem CID: 161249309
• Molecular Formula: C94H95Cl9F6IN25O6
• Molecular Weight: 2230.93 g/mol
• Exact Mass: 2225.40
• IUPAC Name: 1-(2-chloro-6-iodo-4-pyridinyl)-3-[(1,3-dimethyl-4-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)-methylamino]propan-2-one;1-(2,6-dichloro-4-pyridinyl)-3-[[3-(dimethylamino)-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]-methylamino]propan-2-one;4-(2,6-dichloro-4-pyridinyl)-1-(1,3-dimethyl-4-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)butane-1,3-dione;1-(2,6-dichloro-4-pyridinyl)-3-[[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]amino]propan-2-one;1-(2,6-dichloro-4-pyridinyl)-3-[[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]-methylamino]propan-2-one
• SMILES: Cc1cc(N(C)CC(=O)Cc2cc(Cl)nc(Cl)c2)nc2c1c(N(C)C)nn2C.Cc1nn(C)c2nc(C(=O)CC(=O)Cc3cc(Cl)nc(Cl)c3)cc(C(C)C)c12.Cc1nn(C)c2nc(N(C)CC(=O)Cc3cc(Cl)nc(Cl)c3)cc(C(F)(F)F)c12.Cc1nn(C)c2nc(N(C)CC(=O)Cc3cc(Cl)nc(I)c3)cc(C(C)C)c12.Cc1nn(C)c2nc(NCC(=O)Cc3cc(Cl)nc(Cl)c3)cc(C(F)(F)F)c12
• InChI: InChI=1S/C20H20Cl2N4O2.C20H23ClIN5O.C19H22Cl2N6O.C18H16Cl2F3N5O.C17H14Cl2F3N5O/c1-10(2)14-9-15(23-20-19(14)11(3)25-26(20)4)16(28)8-13(27)5-12-6-17(21)24-18(22)7-12;1-11(2)15-9-18(24-20-19(15)12(3)25-27(20)5)26(4)10-14(28)6-13-7-16(21)23-17(22)8-13;1-11-6-16(23-18-17(11)19(25(2)3)24-27(18)5)26(4)10-13(28)7-12-8-14(20)22-15(21)9-12;1-9-16-12(18(21,22)23)7-15(25-17(16)28(3)26-9)27(2)8-11(29)4-10-5-13(19)24-14(20)6-10;1-8-15-11(17(20,21)22)6-14(25-16(15)27(2)26-8)23-7-10(28)3-9-4-12(18)24-13(19)5-9/h6-7,9-10H,5,8H2,1-4H3;7-9,11H,6,10H2,1-5H3;6,8-9H,7,10H2,1-5H3;5-7H,4,8H2,1-3H3;4-6H,3,7H2,1-2H3,(H,23,25)
• InChIKey: VBBCTLJLEFEYAI-UHFFFAOYSA-N
• XLogP: 20.55
• 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	2230.93
LogP ≤ 5	20.55
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-iodo-4-pyridinyl)-3-[(1,3-dimethyl-4-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)-methylamino]propan-2-one;1-(2,6-dichloro-4-pyridinyl)-3-[[3-(dimethylamino)-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]-methylamino]propan-2-one;4-(2,6-dichloro-4-pyridinyl)-1-(1,3-dimethyl-4-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)butane-1,3-dione;1-(2,6-dichloro-4-pyridinyl)-3-[[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]amino]propan-2-one;1-(2,6-dichloro-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-iodo-4-pyridinyl)-3-[(1,3-dimethyl-4-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)-methylamino]propan-2-one;1-(2,6-dichloro-4-pyridinyl)-3-[[3-(dimethylamino)-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]-methylamino]propan-2-one;4-(2,6-dichloro-4-pyridinyl)-1-(1,3-dimethyl-4-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)butane-1,3-dione;1-(2,6-dichloro-4-pyridinyl)-3-[[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]amino]propan-2-one;1-(2,6-dichloro-4-pyridinyl)-3-[[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]-methylamino]propan-2-one (CID 161249309) is 1-(2-chloro-6-iodo-4-pyridinyl)-3-[(1,3-dimethyl-4-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)-methylamino]propan-2-one;1-(2,6-dichloro-4-pyridinyl)-3-[[3-(dimethylamino)-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]-methylamino]propan-2-one;4-(2,6-dichloro-4-pyridinyl)-1-(1,3-dimethyl-4-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)butane-1,3-dione;1-(2,6-dichloro-4-pyridinyl)-3-[[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]amino]propan-2-one;1-(2,6-dichloro-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-iodo-4-pyridinyl)-3-[(1,3-dimethyl-4-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)-methylamino]propan-2-one;1-(2,6-dichloro-4-pyridinyl)-3-[[3-(dimethylamino)-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]-methylamino]propan-2-one;4-(2,6-dichloro-4-pyridinyl)-1-(1,3-dimethyl-4-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)butane-1,3-dione;1-(2,6-dichloro-4-pyridinyl)-3-[[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]amino]propan-2-one;1-(2,6-dichloro-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-iodo-4-pyridinyl)-3-[(1,3-dimethyl-4-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)-methylamino]propan-2-one;1-(2,6-dichloro-4-pyridinyl)-3-[[3-(dimethylamino)-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]-methylamino]propan-2-one;4-(2,6-dichloro-4-pyridinyl)-1-(1,3-dimethyl-4-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)butane-1,3-dione;1-(2,6-dichloro-4-pyridinyl)-3-[[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]amino]propan-2-one;1-(2,6-dichloro-4-pyridinyl)-3-[[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]-methylamino]propan-2-one is Cc1cc(N(C)CC(=O)Cc2cc(Cl)nc(Cl)c2)nc2c1c(N(C)C)nn2C.Cc1nn(C)c2nc(C(=O)CC(=O)Cc3cc(Cl)nc(Cl)c3)cc(C(C)C)c12.Cc1nn(C)c2nc(N(C)CC(=O)Cc3cc(Cl)nc(Cl)c3)cc(C(F)(F)F)c12.Cc1nn(C)c2nc(N(C)CC(=O)Cc3cc(Cl)nc(I)c3)cc(C(C)C)c12.Cc1nn(C)c2nc(NCC(=O)Cc3cc(Cl)nc(Cl)c3)cc(C(F)(F)F)c12.

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

The InChIKey is VBBCTLJLEFEYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N4O2.C20H23ClIN5O.C19H22Cl2N6O.C18H16Cl2F3N5O.C17H14Cl2F3N5O/c1-10(2)14-9-15(23-20-19(14)11(3)25-26(20)4)16(28)8-13(27)5-12-6-17(21)24-18(22)7-12;1-11(2)15-9-18(24-20-19(15)12(3)25-27(20)5)26(4)10-14(28)6-13-7-16(21)23-17(22)8-13;1-11-6-16(23-18-17(11)19(25(2)3)24-27(18)5)26(4)10-13(28)7-12-8-14(20)22-15(21)9-12;1-9-16-12(18(21,22)23)7-15(25-17(16)28(3)26-9)27(2)8-11(29)4-10-5-13(19)24-14(20)6-10;1-8-15-11(17(20,21)22)6-14(25-16(15)27(2)26-8)23-7-10(28)3-9-4-12(18)24-13(19)5-9/h6-7,9-10H,5,8H2,1-4H3;7-9,11H,6,10H2,1-5H3;6,8-9H,7,10H2,1-5H3;5-7H,4,8H2,1-3H3;4-6H,3,7H2,1-2H3,(H,23,25).

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

1-(2-chloro-6-iodo-4-pyridinyl)-3-[(1,3-dimethyl-4-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)-methylamino]propan-2-one;1-(2,6-dichloro-4-pyridinyl)-3-[[3-(dimethylamino)-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]-methylamino]propan-2-one;4-(2,6-dichloro-4-pyridinyl)-1-(1,3-dimethyl-4-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)butane-1,3-dione;1-(2,6-dichloro-4-pyridinyl)-3-[[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]amino]propan-2-one;1-(2,6-dichloro-4-pyridinyl)-3-[[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]-methylamino]propan-2-one has a molecular weight of 2230.93 g/mol, XLogP of 20.55, 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-iodo-4-pyridinyl)-3-[(1,3-dimethyl-4-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)-methylamino]propan-2-one;1-(2,6-dichloro-4-pyridinyl)-3-[[3-(dimethylamino)-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]-methylamino]propan-2-one;4-(2,6-dichloro-4-pyridinyl)-1-(1,3-dimethyl-4-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)butane-1,3-dione;1-(2,6-dichloro-4-pyridinyl)-3-[[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]amino]propan-2-one;1-(2,6-dichloro-4-pyridinyl)-3-[[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]-methylamino]propan-2-one is sourced from PubChem (CID 161249309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).