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

C18H17F2N7O3S — CID 138620469

IUPAC6-[[5-(difluoromethyl)-2-pyridinyl]amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1nnc(Nc2ccc(C(F)F)cn2)cc1Nc1ncccc1S(C)(=O)=O
InChIInChI=1S/C18H17F2N7O3S/c1-21-18(28)15-11(24-17-12(31(2,29)30)4-3-7-22-17)8-14(26-27-15)25-13-6-5-10(9-23-13)16(19)20/h3-9,16H,1-2H3,(H,21,28)(H2,22,23,24,25,26)/i1D3
InChIKeyLUJYEYOHUYPQIP-FIBGUPNXSA-N
MW452.46 g/mol
LogP2.45
Rot. Bonds8

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

6-[[5-(difluoromethyl)-2-pyridinyl]amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide (PubChem CID 138620469) has the molecular formula C18H17F2N7O3S and a molecular weight of 452.46 g/mol. Its IUPAC name is 6-[[5-(difluoromethyl)-2-pyridinyl]amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[[5-(difluoromethyl)-2-pyridinyl]amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
PubChem CID138620469
Molecular FormulaC18H17F2N7O3S
Molecular Weight452.46 g/mol
Exact Mass452.13
IUPAC Name6-[[5-(difluoromethyl)-2-pyridinyl]amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1nnc(Nc2ccc(C(F)F)cn2)cc1Nc1ncccc1S(C)(=O)=O
InChIInChI=1S/C18H17F2N7O3S/c1-21-18(28)15-11(24-17-12(31(2,29)30)4-3-7-22-17)8-14(26-27-15)25-13-6-5-10(9-23-13)16(19)20/h3-9,16H,1-2H3,(H,21,28)(H2,22,23,24,25,26)/i1D3
InChIKeyLUJYEYOHUYPQIP-FIBGUPNXSA-N
XLogP2.45
TPSA138.86 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.46
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 6-[[5-(difluoromethyl)-2-pyridinyl]amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[[5-(difluoromethyl)-2-pyridinyl]amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The IUPAC name of 6-[[5-(difluoromethyl)-2-pyridinyl]amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide (CID 138620469) is 6-[[5-(difluoromethyl)-2-pyridinyl]amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-[[5-(difluoromethyl)-2-pyridinyl]amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-[[5-(difluoromethyl)-2-pyridinyl]amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide is [2H]C([2H])([2H])NC(=O)c1nnc(Nc2ccc(C(F)F)cn2)cc1Nc1ncccc1S(C)(=O)=O.
What is the InChIKey of 6-[[5-(difluoromethyl)-2-pyridinyl]amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The InChIKey is LUJYEYOHUYPQIP-FIBGUPNXSA-N. The full InChI is InChI=1S/C18H17F2N7O3S/c1-21-18(28)15-11(24-17-12(31(2,29)30)4-3-7-22-17)8-14(26-27-15)25-13-6-5-10(9-23-13)16(19)20/h3-9,16H,1-2H3,(H,21,28)(H2,22,23,24,25,26)/i1D3.
What are the key properties of 6-[[5-(difluoromethyl)-2-pyridinyl]amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
6-[[5-(difluoromethyl)-2-pyridinyl]amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide has a molecular weight of 452.46 g/mol, XLogP of 2.45, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-(difluoromethyl)-2-pyridinyl]amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 138620469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).