6-[(5-cyclopropylpyrazin-2-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide

C19H20N8O3S — CID 150986956

About 6-[(5-cyclopropylpyrazin-2-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide

6-[(5-cyclopropylpyrazin-2-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide (PubChem CID 150986956) has the molecular formula C19H20N8O3S and a molecular weight of 443.51 g/mol. Its IUPAC name is 6-[(5-cyclopropylpyrazin-2-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[(5-cyclopropylpyrazin-2-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
• PubChem CID: 150986956
• Molecular Formula: C19H20N8O3S
• Molecular Weight: 443.51 g/mol
• Exact Mass: 443.16
• IUPAC Name: 6-[(5-cyclopropylpyrazin-2-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
• SMILES: [2H]C([2H])([2H])NC(=O)c1nnc(Nc2cnc(C3CC3)cn2)cc1Nc1ncccc1S(C)(=O)=O
• InChI: InChI=1S/C19H20N8O3S/c1-20-19(28)17-12(24-18-14(31(2,29)30)4-3-7-21-18)8-15(26-27-17)25-16-10-22-13(9-23-16)11-5-6-11/h3-4,7-11H,5-6H2,1-2H3,(H,20,28)(H2,21,23,24,25,26)/i1D3
• InChIKey: LRHCUDKDCMPZJQ-FIBGUPNXSA-N
• XLogP: 1.79
• TPSA: 151.75 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.51
LogP ≤ 5	1.79
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 6-[(5-cyclopropylpyrazin-2-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?

The IUPAC name of 6-[(5-cyclopropylpyrazin-2-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide (CID 150986956) is 6-[(5-cyclopropylpyrazin-2-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide.

What is the SMILES notation for 6-[(5-cyclopropylpyrazin-2-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?

The canonical SMILES for 6-[(5-cyclopropylpyrazin-2-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide is [2H]C([2H])([2H])NC(=O)c1nnc(Nc2cnc(C3CC3)cn2)cc1Nc1ncccc1S(C)(=O)=O.

What is the InChIKey of 6-[(5-cyclopropylpyrazin-2-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?

The InChIKey is LRHCUDKDCMPZJQ-FIBGUPNXSA-N. The full InChI is InChI=1S/C19H20N8O3S/c1-20-19(28)17-12(24-18-14(31(2,29)30)4-3-7-21-18)8-15(26-27-17)25-16-10-22-13(9-23-16)11-5-6-11/h3-4,7-11H,5-6H2,1-2H3,(H,20,28)(H2,21,23,24,25,26)/i1D3.

What are the key properties of 6-[(5-cyclopropylpyrazin-2-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?

6-[(5-cyclopropylpyrazin-2-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide has a molecular weight of 443.51 g/mol, XLogP of 1.79, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(5-cyclopropylpyrazin-2-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 150986956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).