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

C15H19ClF2N6O2S — CID 164757964

IUPAC7-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
SMILESCc1cc(Cl)n2nc(C(F)F)nc(N3CC4(CC(N(C)S(N)(=O)=O)C4)C3)c12
InChIInChI=1S/C15H19ClF2N6O2S/c1-8-3-10(16)24-11(8)14(20-13(21-24)12(17)18)23-6-15(7-23)4-9(5-15)22(2)27(19,25)26/h3,9,12H,4-7H2,1-2H3,(H2,19,25,26)
InChIKeyWBLVXAPMEYHGDZ-UHFFFAOYSA-N
MW420.87 g/mol
LogP1.73
Rot. Bonds4

About 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

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 (PubChem CID 164757964) has the molecular formula C15H19ClF2N6O2S and a molecular weight of 420.87 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-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
PubChem CID164757964
Molecular FormulaC15H19ClF2N6O2S
Molecular Weight420.87 g/mol
Exact Mass420.09
IUPAC Name7-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
SMILESCc1cc(Cl)n2nc(C(F)F)nc(N3CC4(CC(N(C)S(N)(=O)=O)C4)C3)c12
InChIInChI=1S/C15H19ClF2N6O2S/c1-8-3-10(16)24-11(8)14(20-13(21-24)12(17)18)23-6-15(7-23)4-9(5-15)22(2)27(19,25)26/h3,9,12H,4-7H2,1-2H3,(H2,19,25,26)
InChIKeyWBLVXAPMEYHGDZ-UHFFFAOYSA-N
XLogP1.73
TPSA96.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.87
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 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 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 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(Cl)n2nc(C(F)F)nc(N3CC4(CC(N(C)S(N)(=O)=O)C4)C3)c12.
What is the InChIKey of 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?
The InChIKey is WBLVXAPMEYHGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClF2N6O2S/c1-8-3-10(16)24-11(8)14(20-13(21-24)12(17)18)23-6-15(7-23)4-9(5-15)22(2)27(19,25)26/h3,9,12H,4-7H2,1-2H3,(H2,19,25,26).
What are the key properties of 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?
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 has a molecular weight of 420.87 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-2-(difluoromethyl)-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 164757964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).