6-[(5-fluoropyrazin-2-yl)amino]-N-methyl-4-(2-methylsulfonylanilino)pyridazine-3-carboxamide

C17H16FN7O3S — CID 162369514

IUPAC6-[(5-fluoropyrazin-2-yl)amino]-N-methyl-4-(2-methylsulfonylanilino)pyridazine-3-carboxamide
SMILESCNC(=O)c1nnc(Nc2cnc(F)cn2)cc1Nc1ccccc1S(C)(=O)=O
InChIInChI=1S/C17H16FN7O3S/c1-19-17(26)16-11(22-10-5-3-4-6-12(10)29(2,27)28)7-14(24-25-16)23-15-9-20-13(18)8-21-15/h3-9H,1-2H3,(H,19,26)(H2,21,22,23,24)
InChIKeyITUYHILMPMOZRU-UHFFFAOYSA-N
MW417.43 g/mol
LogP1.66
Rot. Bonds6

About 6-[(5-fluoropyrazin-2-yl)amino]-N-methyl-4-(2-methylsulfonylanilino)pyridazine-3-carboxamide

6-[(5-fluoropyrazin-2-yl)amino]-N-methyl-4-(2-methylsulfonylanilino)pyridazine-3-carboxamide (PubChem CID 162369514) has the molecular formula C17H16FN7O3S and a molecular weight of 417.43 g/mol. Its IUPAC name is 6-[(5-fluoropyrazin-2-yl)amino]-N-methyl-4-(2-methylsulfonylanilino)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[(5-fluoropyrazin-2-yl)amino]-N-methyl-4-(2-methylsulfonylanilino)pyridazine-3-carboxamide
PubChem CID162369514
Molecular FormulaC17H16FN7O3S
Molecular Weight417.43 g/mol
Exact Mass417.10
IUPAC Name6-[(5-fluoropyrazin-2-yl)amino]-N-methyl-4-(2-methylsulfonylanilino)pyridazine-3-carboxamide
SMILESCNC(=O)c1nnc(Nc2cnc(F)cn2)cc1Nc1ccccc1S(C)(=O)=O
InChIInChI=1S/C17H16FN7O3S/c1-19-17(26)16-11(22-10-5-3-4-6-12(10)29(2,27)28)7-14(24-25-16)23-15-9-20-13(18)8-21-15/h3-9H,1-2H3,(H,19,26)(H2,21,22,23,24)
InChIKeyITUYHILMPMOZRU-UHFFFAOYSA-N
XLogP1.66
TPSA138.86 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.43
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-[(5-fluoropyrazin-2-yl)amino]-N-methyl-4-(2-methylsulfonylanilino)pyridazine-3-carboxamide?
The IUPAC name of 6-[(5-fluoropyrazin-2-yl)amino]-N-methyl-4-(2-methylsulfonylanilino)pyridazine-3-carboxamide (CID 162369514) is 6-[(5-fluoropyrazin-2-yl)amino]-N-methyl-4-(2-methylsulfonylanilino)pyridazine-3-carboxamide.
What is the SMILES notation for 6-[(5-fluoropyrazin-2-yl)amino]-N-methyl-4-(2-methylsulfonylanilino)pyridazine-3-carboxamide?
The canonical SMILES for 6-[(5-fluoropyrazin-2-yl)amino]-N-methyl-4-(2-methylsulfonylanilino)pyridazine-3-carboxamide is CNC(=O)c1nnc(Nc2cnc(F)cn2)cc1Nc1ccccc1S(C)(=O)=O.
What is the InChIKey of 6-[(5-fluoropyrazin-2-yl)amino]-N-methyl-4-(2-methylsulfonylanilino)pyridazine-3-carboxamide?
The InChIKey is ITUYHILMPMOZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN7O3S/c1-19-17(26)16-11(22-10-5-3-4-6-12(10)29(2,27)28)7-14(24-25-16)23-15-9-20-13(18)8-21-15/h3-9H,1-2H3,(H,19,26)(H2,21,22,23,24).
What are the key properties of 6-[(5-fluoropyrazin-2-yl)amino]-N-methyl-4-(2-methylsulfonylanilino)pyridazine-3-carboxamide?
6-[(5-fluoropyrazin-2-yl)amino]-N-methyl-4-(2-methylsulfonylanilino)pyridazine-3-carboxamide has a molecular weight of 417.43 g/mol, XLogP of 1.66, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-fluoropyrazin-2-yl)amino]-N-methyl-4-(2-methylsulfonylanilino)pyridazine-3-carboxamide is sourced from PubChem (CID 162369514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).