2-[3-[[6-(cyclopropanecarbonylamino)-3-(trideuteriomethylcarbamoyl)pyridazin-4-yl]amino]-5-fluoro-2-methoxyphenyl]-N,N-dimethyl-1,3-thiazole-5-carboxamide

C23H24FN7O4S — CID 166585037

About 2-[3-[[6-(cyclopropanecarbonylamino)-3-(trideuteriomethylcarbamoyl)pyridazin-4-yl]amino]-5-fluoro-2-methoxyphenyl]-N,N-dimethyl-1,3-thiazole-5-carboxamide

2-[3-[[6-(cyclopropanecarbonylamino)-3-(trideuteriomethylcarbamoyl)pyridazin-4-yl]amino]-5-fluoro-2-methoxyphenyl]-N,N-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 166585037) has the molecular formula C23H24FN7O4S and a molecular weight of 516.57 g/mol. Its IUPAC name is 2-[3-[[6-(cyclopropanecarbonylamino)-3-(trideuteriomethylcarbamoyl)pyridazin-4-yl]amino]-5-fluoro-2-methoxyphenyl]-N,N-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: 2-[3-[[6-(cyclopropanecarbonylamino)-3-(trideuteriomethylcarbamoyl)pyridazin-4-yl]amino]-5-fluoro-2-methoxyphenyl]-N,N-dimethyl-1,3-thiazole-5-carboxamide
• PubChem CID: 166585037
• Molecular Formula: C23H24FN7O4S
• Molecular Weight: 516.57 g/mol
• Exact Mass: 516.18
• IUPAC Name: 2-[3-[[6-(cyclopropanecarbonylamino)-3-(trideuteriomethylcarbamoyl)pyridazin-4-yl]amino]-5-fluoro-2-methoxyphenyl]-N,N-dimethyl-1,3-thiazole-5-carboxamide
• SMILES: [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cc(F)cc(-c2ncc(C(=O)N(C)C)s2)c1OC
• InChI: InChI=1S/C23H24FN7O4S/c1-25-21(33)18-14(9-17(29-30-18)28-20(32)11-5-6-11)27-15-8-12(24)7-13(19(15)35-4)22-26-10-16(36-22)23(34)31(2)3/h7-11H,5-6H2,1-4H3,(H,25,33)(H2,27,28,29,32)/i1D3
• InChIKey: BDTNLCACDZEJGQ-FIBGUPNXSA-N
• XLogP: 2.90
• TPSA: 138.44 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	516.57
LogP ≤ 5	2.90
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[6-(cyclopropanecarbonylamino)-3-(trideuteriomethylcarbamoyl)pyridazin-4-yl]amino]-5-fluoro-2-methoxyphenyl]-N,N-dimethyl-1,3-thiazole-5-carboxamide?

The IUPAC name of 2-[3-[[6-(cyclopropanecarbonylamino)-3-(trideuteriomethylcarbamoyl)pyridazin-4-yl]amino]-5-fluoro-2-methoxyphenyl]-N,N-dimethyl-1,3-thiazole-5-carboxamide (CID 166585037) is 2-[3-[[6-(cyclopropanecarbonylamino)-3-(trideuteriomethylcarbamoyl)pyridazin-4-yl]amino]-5-fluoro-2-methoxyphenyl]-N,N-dimethyl-1,3-thiazole-5-carboxamide.

What is the SMILES notation for 2-[3-[[6-(cyclopropanecarbonylamino)-3-(trideuteriomethylcarbamoyl)pyridazin-4-yl]amino]-5-fluoro-2-methoxyphenyl]-N,N-dimethyl-1,3-thiazole-5-carboxamide?

The canonical SMILES for 2-[3-[[6-(cyclopropanecarbonylamino)-3-(trideuteriomethylcarbamoyl)pyridazin-4-yl]amino]-5-fluoro-2-methoxyphenyl]-N,N-dimethyl-1,3-thiazole-5-carboxamide is [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cc(F)cc(-c2ncc(C(=O)N(C)C)s2)c1OC.

What is the InChIKey of 2-[3-[[6-(cyclopropanecarbonylamino)-3-(trideuteriomethylcarbamoyl)pyridazin-4-yl]amino]-5-fluoro-2-methoxyphenyl]-N,N-dimethyl-1,3-thiazole-5-carboxamide?

The InChIKey is BDTNLCACDZEJGQ-FIBGUPNXSA-N. The full InChI is InChI=1S/C23H24FN7O4S/c1-25-21(33)18-14(9-17(29-30-18)28-20(32)11-5-6-11)27-15-8-12(24)7-13(19(15)35-4)22-26-10-16(36-22)23(34)31(2)3/h7-11H,5-6H2,1-4H3,(H,25,33)(H2,27,28,29,32)/i1D3.

What are the key properties of 2-[3-[[6-(cyclopropanecarbonylamino)-3-(trideuteriomethylcarbamoyl)pyridazin-4-yl]amino]-5-fluoro-2-methoxyphenyl]-N,N-dimethyl-1,3-thiazole-5-carboxamide?

2-[3-[[6-(cyclopropanecarbonylamino)-3-(trideuteriomethylcarbamoyl)pyridazin-4-yl]amino]-5-fluoro-2-methoxyphenyl]-N,N-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 516.57 g/mol, XLogP of 2.90, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[[6-(cyclopropanecarbonylamino)-3-(trideuteriomethylcarbamoyl)pyridazin-4-yl]amino]-5-fluoro-2-methoxyphenyl]-N,N-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 166585037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).