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

C15H18ClF3N6O2S — CID 163274873

IUPAC7-chloro-5-methyl-4-[6-[sulfamoyl(2,2,2-trifluoroethyl)amino]-2-azaspiro[3.3]heptan-2-yl]pyrrolo[2,1-f][1,2,4]triazine
SMILESCc1cc(Cl)n2ncnc(N3CC4(CC(N(CC(F)(F)F)S(N)(=O)=O)C4)C3)c12
InChIInChI=1S/C15H18ClF3N6O2S/c1-9-2-11(16)25-12(9)13(21-8-22-25)23-5-14(6-23)3-10(4-14)24(28(20,26)27)7-15(17,18)19/h2,8,10H,3-7H2,1H3,(H2,20,26,27)
InChIKeyGVZWULKBARKAOV-UHFFFAOYSA-N
MW438.86 g/mol
LogP1.73
Rot. Bonds4

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

7-chloro-5-methyl-4-[6-[sulfamoyl(2,2,2-trifluoroethyl)amino]-2-azaspiro[3.3]heptan-2-yl]pyrrolo[2,1-f][1,2,4]triazine (PubChem CID 163274873) has the molecular formula C15H18ClF3N6O2S and a molecular weight of 438.86 g/mol. Its IUPAC name is 7-chloro-5-methyl-4-[6-[sulfamoyl(2,2,2-trifluoroethyl)amino]-2-azaspiro[3.3]heptan-2-yl]pyrrolo[2,1-f][1,2,4]triazine.

Molecular Properties

Compound Name7-chloro-5-methyl-4-[6-[sulfamoyl(2,2,2-trifluoroethyl)amino]-2-azaspiro[3.3]heptan-2-yl]pyrrolo[2,1-f][1,2,4]triazine
PubChem CID163274873
Molecular FormulaC15H18ClF3N6O2S
Molecular Weight438.86 g/mol
Exact Mass438.09
IUPAC Name7-chloro-5-methyl-4-[6-[sulfamoyl(2,2,2-trifluoroethyl)amino]-2-azaspiro[3.3]heptan-2-yl]pyrrolo[2,1-f][1,2,4]triazine
SMILESCc1cc(Cl)n2ncnc(N3CC4(CC(N(CC(F)(F)F)S(N)(=O)=O)C4)C3)c12
InChIInChI=1S/C15H18ClF3N6O2S/c1-9-2-11(16)25-12(9)13(21-8-22-25)23-5-14(6-23)3-10(4-14)24(28(20,26)27)7-15(17,18)19/h2,8,10H,3-7H2,1H3,(H2,20,26,27)
InChIKeyGVZWULKBARKAOV-UHFFFAOYSA-N
XLogP1.73
TPSA96.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.86
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-chloro-5-methyl-4-[6-[sulfamoyl(2,2,2-trifluoroethyl)amino]-2-azaspiro[3.3]heptan-2-yl]pyrrolo[2,1-f][1,2,4]triazine with MolForge

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Related Compounds

7-Chloro-4-[6-[2,2-difluoropropyl(sulfamoyl)amino]-2-azaspiro[3.3]heptan-2-yl]-5-methylpyrrolo[2,1-f][1,2,4]triazine
CID 163274595
7-Chloro-4-[6-[(4,4-difluorocyclohexyl)methyl-sulfamoylamino]-2-azaspiro[3.3]heptan-2-yl]-5-methylpyrrolo[2,1-f][1,2,4]triazine
CID 163274634
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
7-Chloro-5-methyl-4-[6-[sulfamoyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-azaspiro[3.3]heptan-2-yl]pyrrolo[2,1-f][1,2,4]triazine
CID 163275061
7-Chloro-5-methyl-4-[6-[sulfamoyl(3,3,3-trifluoropropyl)amino]-2-azaspiro[3.3]heptan-2-yl]pyrrolo[2,1-f][1,2,4]triazine
CID 163275080
7-Chloro-5-methyl-4-[6-[sulfamoyl(4,4,4-trifluorobutyl)amino]-2-azaspiro[3.3]heptan-2-yl]pyrrolo[2,1-f][1,2,4]triazine
CID 163275119
7-Chloro-2-(4-fluorophenyl)-5-methyl-4-[6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptan-2-yl]pyrrolo[2,1-f][1,2,4]triazine
CID 163275235
7-Chloro-5-methyl-4-[6-[sulfamoyl-[[4-(trifluoromethyl)cyclohexyl]methyl]amino]-2-azaspiro[3.3]heptan-2-yl]pyrrolo[2,1-f][1,2,4]triazine
CID 163275295
7-Chloro-5-methyl-4-[6-[sulfamoyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]-2-azaspiro[3.3]heptan-2-yl]pyrrolo[2,1-f][1,2,4]triazine
CID 163275378
7-Chloro-4-[6-[2-fluoroethyl(sulfamoyl)amino]-2-azaspiro[3.3]heptan-2-yl]-5-methylpyrrolo[2,1-f][1,2,4]triazine
CID 163275507
7-Chloro-4-[6-[2,2-difluoroethyl(sulfamoyl)amino]-2-azaspiro[3.3]heptan-2-yl]-5-methylpyrrolo[2,1-f][1,2,4]triazine
CID 163275514
7-Chloro-2-(difluoromethyl)-5-methyl-4-[6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptan-2-yl]pyrrolo[2,1-f][1,2,4]triazine
CID 164757964

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-methyl-4-[6-[sulfamoyl(2,2,2-trifluoroethyl)amino]-2-azaspiro[3.3]heptan-2-yl]pyrrolo[2,1-f][1,2,4]triazine?
The IUPAC name of 7-chloro-5-methyl-4-[6-[sulfamoyl(2,2,2-trifluoroethyl)amino]-2-azaspiro[3.3]heptan-2-yl]pyrrolo[2,1-f][1,2,4]triazine (CID 163274873) is 7-chloro-5-methyl-4-[6-[sulfamoyl(2,2,2-trifluoroethyl)amino]-2-azaspiro[3.3]heptan-2-yl]pyrrolo[2,1-f][1,2,4]triazine.
What is the SMILES notation for 7-chloro-5-methyl-4-[6-[sulfamoyl(2,2,2-trifluoroethyl)amino]-2-azaspiro[3.3]heptan-2-yl]pyrrolo[2,1-f][1,2,4]triazine?
The canonical SMILES for 7-chloro-5-methyl-4-[6-[sulfamoyl(2,2,2-trifluoroethyl)amino]-2-azaspiro[3.3]heptan-2-yl]pyrrolo[2,1-f][1,2,4]triazine is Cc1cc(Cl)n2ncnc(N3CC4(CC(N(CC(F)(F)F)S(N)(=O)=O)C4)C3)c12.
What is the InChIKey of 7-chloro-5-methyl-4-[6-[sulfamoyl(2,2,2-trifluoroethyl)amino]-2-azaspiro[3.3]heptan-2-yl]pyrrolo[2,1-f][1,2,4]triazine?
The InChIKey is GVZWULKBARKAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClF3N6O2S/c1-9-2-11(16)25-12(9)13(21-8-22-25)23-5-14(6-23)3-10(4-14)24(28(20,26)27)7-15(17,18)19/h2,8,10H,3-7H2,1H3,(H2,20,26,27).
What are the key properties of 7-chloro-5-methyl-4-[6-[sulfamoyl(2,2,2-trifluoroethyl)amino]-2-azaspiro[3.3]heptan-2-yl]pyrrolo[2,1-f][1,2,4]triazine?
7-chloro-5-methyl-4-[6-[sulfamoyl(2,2,2-trifluoroethyl)amino]-2-azaspiro[3.3]heptan-2-yl]pyrrolo[2,1-f][1,2,4]triazine has a molecular weight of 438.86 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-methyl-4-[6-[sulfamoyl(2,2,2-trifluoroethyl)amino]-2-azaspiro[3.3]heptan-2-yl]pyrrolo[2,1-f][1,2,4]triazine is sourced from PubChem (CID 163274873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).