6-chloro-4-[[3-methoxy-4-(2-methyltriazol-4-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;bis(6-[[(1R,2R)-2-ethylcyclopropanecarbonyl]amino]-4-[[3-methoxy-4-(2-methyltriazol-4-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide)

C57H65ClN26O8 — CID 167590940

About 6-chloro-4-[[3-methoxy-4-(2-methyltriazol-4-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;bis(6-[[(1R,2R)-2-ethylcyclopropanecarbonyl]amino]-4-[[3-methoxy-4-(2-methyltriazol-4-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide)

6-chloro-4-[[3-methoxy-4-(2-methyltriazol-4-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;bis(6-[[(1R,2R)-2-ethylcyclopropanecarbonyl]amino]-4-[[3-methoxy-4-(2-methyltriazol-4-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide) (PubChem CID 167590940) has the molecular formula C57H65ClN26O8 and a molecular weight of 1286.83 g/mol. Its IUPAC name is 6-chloro-4-[[3-methoxy-4-(2-methyltriazol-4-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;bis(6-[[(1R,2R)-2-ethylcyclopropanecarbonyl]amino]-4-[[3-methoxy-4-(2-methyltriazol-4-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide).

Molecular Properties

• Compound Name: 6-chloro-4-[[3-methoxy-4-(2-methyltriazol-4-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;bis(6-[[(1R,2R)-2-ethylcyclopropanecarbonyl]amino]-4-[[3-methoxy-4-(2-methyltriazol-4-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide)
• PubChem CID: 167590940
• Molecular Formula: C57H65ClN26O8
• Molecular Weight: 1286.83 g/mol
• Exact Mass: 1285.57
• IUPAC Name: 6-chloro-4-[[3-methoxy-4-(2-methyltriazol-4-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;bis(6-[[(1R,2R)-2-ethylcyclopropanecarbonyl]amino]-4-[[3-methoxy-4-(2-methyltriazol-4-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide)
• SMILES: [2H]C([2H])([2H])NC(=O)c1nnc(Cl)cc1Nc1nccc(-c2cnn(C)n2)c1OC.[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)[C@@H]2C[C@H]2CC)cc1Nc1nccc(-c2cnn(C)n2)c1OC.[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)[C@@H]2C[C@H]2CC)cc1Nc1nccc(-c2cnn(C)n2)c1OC
• InChI: InChI=1S/2C21H25N9O3.C15H15ClN8O2/c2*1-5-11-8-13(11)20(31)26-16-9-14(17(28-27-16)21(32)22-2)25-19-18(33-4)12(6-7-23-19)15-10-24-30(3)29-15;1-17-15(25)12-9(6-11(16)21-22-12)20-14-13(26-3)8(4-5-18-14)10-7-19-24(2)23-10/h2*6-7,9-11,13H,5,8H2,1-4H3,(H,22,32)(H2,23,25,26,27,31);4-7H,1-3H3,(H,17,25)(H,18,20,21)/t2*11-,13-;/m11./s1/i2*2D3;1D3
• InChIKey: IKTZAASEDFXTCL-RBKNDFIJSA-N
• XLogP: 4.96
• TPSA: 417.42 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 29
• Rotatable Bonds: 24
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1286.83
LogP ≤ 5	4.96
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-[[3-methoxy-4-(2-methyltriazol-4-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;bis(6-[[(1R,2R)-2-ethylcyclopropanecarbonyl]amino]-4-[[3-methoxy-4-(2-methyltriazol-4-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide)?

The IUPAC name of 6-chloro-4-[[3-methoxy-4-(2-methyltriazol-4-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;bis(6-[[(1R,2R)-2-ethylcyclopropanecarbonyl]amino]-4-[[3-methoxy-4-(2-methyltriazol-4-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide) (CID 167590940) is 6-chloro-4-[[3-methoxy-4-(2-methyltriazol-4-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;bis(6-[[(1R,2R)-2-ethylcyclopropanecarbonyl]amino]-4-[[3-methoxy-4-(2-methyltriazol-4-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide).

What is the SMILES notation for 6-chloro-4-[[3-methoxy-4-(2-methyltriazol-4-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;bis(6-[[(1R,2R)-2-ethylcyclopropanecarbonyl]amino]-4-[[3-methoxy-4-(2-methyltriazol-4-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide)?

The canonical SMILES for 6-chloro-4-[[3-methoxy-4-(2-methyltriazol-4-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;bis(6-[[(1R,2R)-2-ethylcyclopropanecarbonyl]amino]-4-[[3-methoxy-4-(2-methyltriazol-4-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide) is [2H]C([2H])([2H])NC(=O)c1nnc(Cl)cc1Nc1nccc(-c2cnn(C)n2)c1OC.[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)[C@@H]2C[C@H]2CC)cc1Nc1nccc(-c2cnn(C)n2)c1OC.[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)[C@@H]2C[C@H]2CC)cc1Nc1nccc(-c2cnn(C)n2)c1OC.

What is the InChIKey of 6-chloro-4-[[3-methoxy-4-(2-methyltriazol-4-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;bis(6-[[(1R,2R)-2-ethylcyclopropanecarbonyl]amino]-4-[[3-methoxy-4-(2-methyltriazol-4-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide)?

The InChIKey is IKTZAASEDFXTCL-RBKNDFIJSA-N. The full InChI is InChI=1S/2C21H25N9O3.C15H15ClN8O2/c2*1-5-11-8-13(11)20(31)26-16-9-14(17(28-27-16)21(32)22-2)25-19-18(33-4)12(6-7-23-19)15-10-24-30(3)29-15;1-17-15(25)12-9(6-11(16)21-22-12)20-14-13(26-3)8(4-5-18-14)10-7-19-24(2)23-10/h2*6-7,9-11,13H,5,8H2,1-4H3,(H,22,32)(H2,23,25,26,27,31);4-7H,1-3H3,(H,17,25)(H,18,20,21)/t2*11-,13-;/m11./s1/i2*2D3;1D3.

What are the key properties of 6-chloro-4-[[3-methoxy-4-(2-methyltriazol-4-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;bis(6-[[(1R,2R)-2-ethylcyclopropanecarbonyl]amino]-4-[[3-methoxy-4-(2-methyltriazol-4-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide)?

6-chloro-4-[[3-methoxy-4-(2-methyltriazol-4-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;bis(6-[[(1R,2R)-2-ethylcyclopropanecarbonyl]amino]-4-[[3-methoxy-4-(2-methyltriazol-4-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide) has a molecular weight of 1286.83 g/mol, XLogP of 4.96, 24 rotatable bonds, 8 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-4-[[3-methoxy-4-(2-methyltriazol-4-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;bis(6-[[(1R,2R)-2-ethylcyclopropanecarbonyl]amino]-4-[[3-methoxy-4-(2-methyltriazol-4-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide) is sourced from PubChem (CID 167590940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).