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

C16H21ClF2N6O2S — CID 163274595

IUPAC7-chloro-4-[6-[2,2-difluoropropyl(sulfamoyl)amino]-2-azaspiro[3.3]heptan-2-yl]-5-methylpyrrolo[2,1-f][1,2,4]triazine
SMILESCc1cc(Cl)n2ncnc(N3CC4(CC(N(CC(C)(F)F)S(N)(=O)=O)C4)C3)c12
InChIInChI=1S/C16H21ClF2N6O2S/c1-10-3-12(17)25-13(10)14(21-9-22-25)23-7-16(8-23)4-11(5-16)24(28(20,26)27)6-15(2,18)19/h3,9,11H,4-8H2,1-2H3,(H2,20,26,27)
InChIKeyKFIYIQNSRCLLNA-UHFFFAOYSA-N
MW434.90 g/mol
LogP1.82
Rot. Bonds5

About 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

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 (PubChem CID 163274595) has the molecular formula C16H21ClF2N6O2S and a molecular weight of 434.90 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-chloro-4-[6-[2,2-difluoropropyl(sulfamoyl)amino]-2-azaspiro[3.3]heptan-2-yl]-5-methylpyrrolo[2,1-f][1,2,4]triazine
PubChem CID163274595
Molecular FormulaC16H21ClF2N6O2S
Molecular Weight434.90 g/mol
Exact Mass434.11
IUPAC Name7-chloro-4-[6-[2,2-difluoropropyl(sulfamoyl)amino]-2-azaspiro[3.3]heptan-2-yl]-5-methylpyrrolo[2,1-f][1,2,4]triazine
SMILESCc1cc(Cl)n2ncnc(N3CC4(CC(N(CC(C)(F)F)S(N)(=O)=O)C4)C3)c12
InChIInChI=1S/C16H21ClF2N6O2S/c1-10-3-12(17)25-13(10)14(21-9-22-25)23-7-16(8-23)4-11(5-16)24(28(20,26)27)6-15(2,18)19/h3,9,11H,4-8H2,1-2H3,(H2,20,26,27)
InChIKeyKFIYIQNSRCLLNA-UHFFFAOYSA-N
XLogP1.82
TPSA96.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.90
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(Cl)n2ncnc(N3CC4(CC(N(CC(C)(F)F)S(N)(=O)=O)C4)C3)c12.
What is the InChIKey of 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?
The InChIKey is KFIYIQNSRCLLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClF2N6O2S/c1-10-3-12(17)25-13(10)14(21-9-22-25)23-7-16(8-23)4-11(5-16)24(28(20,26)27)6-15(2,18)19/h3,9,11H,4-8H2,1-2H3,(H2,20,26,27).
What are the key properties of 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?
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 has a molecular weight of 434.90 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 163274595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).