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

C18H17FN6O3S — CID 155566039

IUPAC6-[(5-fluoro-2-pyridinyl)amino]-4-(2-methylsulfonylanilino)-N-(trideuteriomethyl)pyridazine-3-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1nnc(Nc2ccc(F)cn2)cc1Nc1ccccc1S(C)(=O)=O
InChIInChI=1S/C18H17FN6O3S/c1-20-18(26)17-13(22-12-5-3-4-6-14(12)29(2,27)28)9-16(24-25-17)23-15-8-7-11(19)10-21-15/h3-10H,1-2H3,(H,20,26)(H2,21,22,23,24)/i1D3
InChIKeyVIMJTXGSLFCMHW-FIBGUPNXSA-N
MW419.46 g/mol
LogP2.26
Rot. Bonds7

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

6-[(5-fluoro-2-pyridinyl)amino]-4-(2-methylsulfonylanilino)-N-(trideuteriomethyl)pyridazine-3-carboxamide (PubChem CID 155566039) has the molecular formula C18H17FN6O3S and a molecular weight of 419.46 g/mol. Its IUPAC name is 6-[(5-fluoro-2-pyridinyl)amino]-4-(2-methylsulfonylanilino)-N-(trideuteriomethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[(5-fluoro-2-pyridinyl)amino]-4-(2-methylsulfonylanilino)-N-(trideuteriomethyl)pyridazine-3-carboxamide
PubChem CID155566039
Molecular FormulaC18H17FN6O3S
Molecular Weight419.46 g/mol
Exact Mass419.13
IUPAC Name6-[(5-fluoro-2-pyridinyl)amino]-4-(2-methylsulfonylanilino)-N-(trideuteriomethyl)pyridazine-3-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1nnc(Nc2ccc(F)cn2)cc1Nc1ccccc1S(C)(=O)=O
InChIInChI=1S/C18H17FN6O3S/c1-20-18(26)17-13(22-12-5-3-4-6-14(12)29(2,27)28)9-16(24-25-17)23-15-8-7-11(19)10-21-15/h3-10H,1-2H3,(H,20,26)(H2,21,22,23,24)/i1D3
InChIKeyVIMJTXGSLFCMHW-FIBGUPNXSA-N
XLogP2.26
TPSA125.97 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[(5-fluoro-2-pyridinyl)amino]-4-(2-methylsulfonylanilino)-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The IUPAC name of 6-[(5-fluoro-2-pyridinyl)amino]-4-(2-methylsulfonylanilino)-N-(trideuteriomethyl)pyridazine-3-carboxamide (CID 155566039) is 6-[(5-fluoro-2-pyridinyl)amino]-4-(2-methylsulfonylanilino)-N-(trideuteriomethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-[(5-fluoro-2-pyridinyl)amino]-4-(2-methylsulfonylanilino)-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-[(5-fluoro-2-pyridinyl)amino]-4-(2-methylsulfonylanilino)-N-(trideuteriomethyl)pyridazine-3-carboxamide is [2H]C([2H])([2H])NC(=O)c1nnc(Nc2ccc(F)cn2)cc1Nc1ccccc1S(C)(=O)=O.
What is the InChIKey of 6-[(5-fluoro-2-pyridinyl)amino]-4-(2-methylsulfonylanilino)-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The InChIKey is VIMJTXGSLFCMHW-FIBGUPNXSA-N. The full InChI is InChI=1S/C18H17FN6O3S/c1-20-18(26)17-13(22-12-5-3-4-6-14(12)29(2,27)28)9-16(24-25-17)23-15-8-7-11(19)10-21-15/h3-10H,1-2H3,(H,20,26)(H2,21,22,23,24)/i1D3.
What are the key properties of 6-[(5-fluoro-2-pyridinyl)amino]-4-(2-methylsulfonylanilino)-N-(trideuteriomethyl)pyridazine-3-carboxamide?
6-[(5-fluoro-2-pyridinyl)amino]-4-(2-methylsulfonylanilino)-N-(trideuteriomethyl)pyridazine-3-carboxamide has a molecular weight of 419.46 g/mol, XLogP of 2.26, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-fluoro-2-pyridinyl)amino]-4-(2-methylsulfonylanilino)-N-(trideuteriomethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 155566039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).