7-fluoro-5-methyl-4-[6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptan-2-yl]pyrrolo[2,1-f][1,2,4]triazine

C14H19FN6O2S — CID 163275012

IUPAC7-fluoro-5-methyl-4-[6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptan-2-yl]pyrrolo[2,1-f][1,2,4]triazine
SMILESCc1cc(F)n2ncnc(N3CC4(CC(N(C)S(N)(=O)=O)C4)C3)c12
InChIInChI=1S/C14H19FN6O2S/c1-9-3-11(15)21-12(9)13(17-8-18-21)20-6-14(7-20)4-10(5-14)19(2)24(16,22)23/h3,8,10H,4-7H2,1-2H3,(H2,16,22,23)
InChIKeyVAYBNRFEXWMDKD-UHFFFAOYSA-N
MW354.41 g/mol
LogP0.28
Rot. Bonds3

About 7-fluoro-5-methyl-4-[6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptan-2-yl]pyrrolo[2,1-f][1,2,4]triazine

7-fluoro-5-methyl-4-[6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptan-2-yl]pyrrolo[2,1-f][1,2,4]triazine (PubChem CID 163275012) has the molecular formula C14H19FN6O2S and a molecular weight of 354.41 g/mol. Its IUPAC name is 7-fluoro-5-methyl-4-[6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptan-2-yl]pyrrolo[2,1-f][1,2,4]triazine.

Molecular Properties

Compound Name7-fluoro-5-methyl-4-[6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptan-2-yl]pyrrolo[2,1-f][1,2,4]triazine
PubChem CID163275012
Molecular FormulaC14H19FN6O2S
Molecular Weight354.41 g/mol
Exact Mass354.13
IUPAC Name7-fluoro-5-methyl-4-[6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptan-2-yl]pyrrolo[2,1-f][1,2,4]triazine
SMILESCc1cc(F)n2ncnc(N3CC4(CC(N(C)S(N)(=O)=O)C4)C3)c12
InChIInChI=1S/C14H19FN6O2S/c1-9-3-11(15)21-12(9)13(17-8-18-21)20-6-14(7-20)4-10(5-14)19(2)24(16,22)23/h3,8,10H,4-7H2,1-2H3,(H2,16,22,23)
InChIKeyVAYBNRFEXWMDKD-UHFFFAOYSA-N
XLogP0.28
TPSA96.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-5-methyl-4-[6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptan-2-yl]pyrrolo[2,1-f][1,2,4]triazine?
The IUPAC name of 7-fluoro-5-methyl-4-[6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptan-2-yl]pyrrolo[2,1-f][1,2,4]triazine (CID 163275012) is 7-fluoro-5-methyl-4-[6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptan-2-yl]pyrrolo[2,1-f][1,2,4]triazine.
What is the SMILES notation for 7-fluoro-5-methyl-4-[6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptan-2-yl]pyrrolo[2,1-f][1,2,4]triazine?
The canonical SMILES for 7-fluoro-5-methyl-4-[6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptan-2-yl]pyrrolo[2,1-f][1,2,4]triazine is Cc1cc(F)n2ncnc(N3CC4(CC(N(C)S(N)(=O)=O)C4)C3)c12.
What is the InChIKey of 7-fluoro-5-methyl-4-[6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptan-2-yl]pyrrolo[2,1-f][1,2,4]triazine?
The InChIKey is VAYBNRFEXWMDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN6O2S/c1-9-3-11(15)21-12(9)13(17-8-18-21)20-6-14(7-20)4-10(5-14)19(2)24(16,22)23/h3,8,10H,4-7H2,1-2H3,(H2,16,22,23).
What are the key properties of 7-fluoro-5-methyl-4-[6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptan-2-yl]pyrrolo[2,1-f][1,2,4]triazine?
7-fluoro-5-methyl-4-[6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptan-2-yl]pyrrolo[2,1-f][1,2,4]triazine has a molecular weight of 354.41 g/mol, XLogP of 0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-5-methyl-4-[6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptan-2-yl]pyrrolo[2,1-f][1,2,4]triazine is sourced from PubChem (CID 163275012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).