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

C17H18N8O3S — CID 150460664

IUPAC6-[(6-methylpyridazin-3-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1nnc(Nc2ccc(C)nn2)cc1Nc1ncccc1S(C)(=O)=O
InChIInChI=1S/C17H18N8O3S/c1-10-6-7-13(23-22-10)21-14-9-11(15(25-24-14)17(26)18-2)20-16-12(29(3,27)28)5-4-8-19-16/h4-9H,1-3H3,(H,18,26)(H2,19,20,21,23,24)/i2D3
InChIKeyHPSDEEUDRUZILU-BMSJAHLVSA-N
MW417.47 g/mol
LogP1.22
Rot. Bonds7

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

6-[(6-methylpyridazin-3-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide (PubChem CID 150460664) has the molecular formula C17H18N8O3S and a molecular weight of 417.47 g/mol. Its IUPAC name is 6-[(6-methylpyridazin-3-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[(6-methylpyridazin-3-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
PubChem CID150460664
Molecular FormulaC17H18N8O3S
Molecular Weight417.47 g/mol
Exact Mass417.14
IUPAC Name6-[(6-methylpyridazin-3-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1nnc(Nc2ccc(C)nn2)cc1Nc1ncccc1S(C)(=O)=O
InChIInChI=1S/C17H18N8O3S/c1-10-6-7-13(23-22-10)21-14-9-11(15(25-24-14)17(26)18-2)20-16-12(29(3,27)28)5-4-8-19-16/h4-9H,1-3H3,(H,18,26)(H2,19,20,21,23,24)/i2D3
InChIKeyHPSDEEUDRUZILU-BMSJAHLVSA-N
XLogP1.22
TPSA151.75 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 6-[(6-methylpyridazin-3-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The IUPAC name of 6-[(6-methylpyridazin-3-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide (CID 150460664) is 6-[(6-methylpyridazin-3-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-[(6-methylpyridazin-3-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-[(6-methylpyridazin-3-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide is [2H]C([2H])([2H])NC(=O)c1nnc(Nc2ccc(C)nn2)cc1Nc1ncccc1S(C)(=O)=O.
What is the InChIKey of 6-[(6-methylpyridazin-3-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The InChIKey is HPSDEEUDRUZILU-BMSJAHLVSA-N. The full InChI is InChI=1S/C17H18N8O3S/c1-10-6-7-13(23-22-10)21-14-9-11(15(25-24-14)17(26)18-2)20-16-12(29(3,27)28)5-4-8-19-16/h4-9H,1-3H3,(H,18,26)(H2,19,20,21,23,24)/i2D3.
What are the key properties of 6-[(6-methylpyridazin-3-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
6-[(6-methylpyridazin-3-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide has a molecular weight of 417.47 g/mol, XLogP of 1.22, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-methylpyridazin-3-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 150460664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).