6-[(4,5-difluoro-2-pyridinyl)amino]-4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide

C20H18F2N10O2 — CID 158595445

About 6-[(4,5-difluoro-2-pyridinyl)amino]-4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide

6-[(4,5-difluoro-2-pyridinyl)amino]-4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide (PubChem CID 158595445) has the molecular formula C20H18F2N10O2 and a molecular weight of 471.45 g/mol. Its IUPAC name is 6-[(4,5-difluoro-2-pyridinyl)amino]-4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[(4,5-difluoro-2-pyridinyl)amino]-4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
• PubChem CID: 158595445
• Molecular Formula: C20H18F2N10O2
• Molecular Weight: 471.45 g/mol
• Exact Mass: 471.18
• IUPAC Name: 6-[(4,5-difluoro-2-pyridinyl)amino]-4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
• SMILES: [2H]C([2H])([2H])NC(=O)c1nnc(Nc2cc(F)c(F)cn2)cc1Nc1nccc(-c2ncn(C)n2)c1OC
• InChI: InChI=1S/C20H18F2N10O2/c1-23-20(33)16-13(7-15(29-30-16)28-14-6-11(21)12(22)8-25-14)27-19-17(34-3)10(4-5-24-19)18-26-9-32(2)31-18/h4-9H,1-3H3,(H,23,33)(H2,24,25,27,28,29)/i1D3
• InChIKey: HUYWDIGLSQMKFX-FIBGUPNXSA-N
• XLogP: 2.20
• TPSA: 144.66 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	471.45
LogP ≤ 5	2.20
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 6-[(4,5-difluoro-2-pyridinyl)amino]-4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?

The IUPAC name of 6-[(4,5-difluoro-2-pyridinyl)amino]-4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide (CID 158595445) is 6-[(4,5-difluoro-2-pyridinyl)amino]-4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide.

What is the SMILES notation for 6-[(4,5-difluoro-2-pyridinyl)amino]-4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?

The canonical SMILES for 6-[(4,5-difluoro-2-pyridinyl)amino]-4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide is [2H]C([2H])([2H])NC(=O)c1nnc(Nc2cc(F)c(F)cn2)cc1Nc1nccc(-c2ncn(C)n2)c1OC.

What is the InChIKey of 6-[(4,5-difluoro-2-pyridinyl)amino]-4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?

The InChIKey is HUYWDIGLSQMKFX-FIBGUPNXSA-N. The full InChI is InChI=1S/C20H18F2N10O2/c1-23-20(33)16-13(7-15(29-30-16)28-14-6-11(21)12(22)8-25-14)27-19-17(34-3)10(4-5-24-19)18-26-9-32(2)31-18/h4-9H,1-3H3,(H,23,33)(H2,24,25,27,28,29)/i1D3.

What are the key properties of 6-[(4,5-difluoro-2-pyridinyl)amino]-4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?

6-[(4,5-difluoro-2-pyridinyl)amino]-4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide has a molecular weight of 471.45 g/mol, XLogP of 2.20, 8 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(4,5-difluoro-2-pyridinyl)amino]-4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 158595445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).