1-(2-chloro-6-methyl-4-pyridinyl)-3-[[4-(dimethylamino)-1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl]-methylamino]urea;N-(2-chloro-6-methyl-4-pyridinyl)-2-[(1,3-dimethyl-4-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)-ethylamino]acetamide

C39H50Cl2N14O2 — CID 159828725

About 1-(2-chloro-6-methyl-4-pyridinyl)-3-[[4-(dimethylamino)-1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl]-methylamino]urea;N-(2-chloro-6-methyl-4-pyridinyl)-2-[(1,3-dimethyl-4-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)-ethylamino]acetamide

1-(2-chloro-6-methyl-4-pyridinyl)-3-[[4-(dimethylamino)-1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl]-methylamino]urea;N-(2-chloro-6-methyl-4-pyridinyl)-2-[(1,3-dimethyl-4-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)-ethylamino]acetamide (PubChem CID 159828725) has the molecular formula C39H50Cl2N14O2 and a molecular weight of 817.83 g/mol. Its IUPAC name is 1-(2-chloro-6-methyl-4-pyridinyl)-3-[[4-(dimethylamino)-1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl]-methylamino]urea;N-(2-chloro-6-methyl-4-pyridinyl)-2-[(1,3-dimethyl-4-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)-ethylamino]acetamide.

Molecular Properties

• Compound Name: 1-(2-chloro-6-methyl-4-pyridinyl)-3-[[4-(dimethylamino)-1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl]-methylamino]urea;N-(2-chloro-6-methyl-4-pyridinyl)-2-[(1,3-dimethyl-4-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)-ethylamino]acetamide
• PubChem CID: 159828725
• Molecular Formula: C39H50Cl2N14O2
• Molecular Weight: 817.83 g/mol
• Exact Mass: 816.36
• IUPAC Name: 1-(2-chloro-6-methyl-4-pyridinyl)-3-[[4-(dimethylamino)-1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl]-methylamino]urea;N-(2-chloro-6-methyl-4-pyridinyl)-2-[(1,3-dimethyl-4-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)-ethylamino]acetamide
• SMILES: CCN(CC(=O)Nc1cc(C)nc(Cl)c1)c1cc(C(C)C)c2c(C)nn(C)c2n1.Cc1cc(NC(=O)NN(C)c2cc(N(C)C)c3c(C)nn(C)c3n2)cc(Cl)n1
• InChI: InChI=1S/C21H27ClN6O.C18H23ClN8O/c1-7-28(11-19(29)24-15-8-13(4)23-17(22)9-15)18-10-16(12(2)3)20-14(5)26-27(6)21(20)25-18;1-10-7-12(8-14(19)20-10)21-18(28)24-26(5)15-9-13(25(3)4)16-11(2)23-27(6)17(16)22-15/h8-10,12H,7,11H2,1-6H3,(H,23,24,29);7-9H,1-6H3,(H2,20,21,24,28)
• InChIKey: NNEIEMDOXQXZNZ-UHFFFAOYSA-N
• XLogP: 7.09
• TPSA: 167.15 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 10
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	817.83
LogP ≤ 5	7.09
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-methyl-4-pyridinyl)-3-[[4-(dimethylamino)-1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl]-methylamino]urea;N-(2-chloro-6-methyl-4-pyridinyl)-2-[(1,3-dimethyl-4-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)-ethylamino]acetamide?

The IUPAC name of 1-(2-chloro-6-methyl-4-pyridinyl)-3-[[4-(dimethylamino)-1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl]-methylamino]urea;N-(2-chloro-6-methyl-4-pyridinyl)-2-[(1,3-dimethyl-4-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)-ethylamino]acetamide (CID 159828725) is 1-(2-chloro-6-methyl-4-pyridinyl)-3-[[4-(dimethylamino)-1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl]-methylamino]urea;N-(2-chloro-6-methyl-4-pyridinyl)-2-[(1,3-dimethyl-4-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)-ethylamino]acetamide.

What is the SMILES notation for 1-(2-chloro-6-methyl-4-pyridinyl)-3-[[4-(dimethylamino)-1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl]-methylamino]urea;N-(2-chloro-6-methyl-4-pyridinyl)-2-[(1,3-dimethyl-4-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)-ethylamino]acetamide?

The canonical SMILES for 1-(2-chloro-6-methyl-4-pyridinyl)-3-[[4-(dimethylamino)-1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl]-methylamino]urea;N-(2-chloro-6-methyl-4-pyridinyl)-2-[(1,3-dimethyl-4-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)-ethylamino]acetamide is CCN(CC(=O)Nc1cc(C)nc(Cl)c1)c1cc(C(C)C)c2c(C)nn(C)c2n1.Cc1cc(NC(=O)NN(C)c2cc(N(C)C)c3c(C)nn(C)c3n2)cc(Cl)n1.

What is the InChIKey of 1-(2-chloro-6-methyl-4-pyridinyl)-3-[[4-(dimethylamino)-1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl]-methylamino]urea;N-(2-chloro-6-methyl-4-pyridinyl)-2-[(1,3-dimethyl-4-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)-ethylamino]acetamide?

The InChIKey is NNEIEMDOXQXZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN6O.C18H23ClN8O/c1-7-28(11-19(29)24-15-8-13(4)23-17(22)9-15)18-10-16(12(2)3)20-14(5)26-27(6)21(20)25-18;1-10-7-12(8-14(19)20-10)21-18(28)24-26(5)15-9-13(25(3)4)16-11(2)23-27(6)17(16)22-15/h8-10,12H,7,11H2,1-6H3,(H,23,24,29);7-9H,1-6H3,(H2,20,21,24,28).

What are the key properties of 1-(2-chloro-6-methyl-4-pyridinyl)-3-[[4-(dimethylamino)-1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl]-methylamino]urea;N-(2-chloro-6-methyl-4-pyridinyl)-2-[(1,3-dimethyl-4-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)-ethylamino]acetamide?

1-(2-chloro-6-methyl-4-pyridinyl)-3-[[4-(dimethylamino)-1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl]-methylamino]urea;N-(2-chloro-6-methyl-4-pyridinyl)-2-[(1,3-dimethyl-4-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)-ethylamino]acetamide has a molecular weight of 817.83 g/mol, XLogP of 7.09, 10 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-chloro-6-methyl-4-pyridinyl)-3-[[4-(dimethylamino)-1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl]-methylamino]urea;N-(2-chloro-6-methyl-4-pyridinyl)-2-[(1,3-dimethyl-4-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)-ethylamino]acetamide is sourced from PubChem (CID 159828725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).