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

C14H19ClN6O3S — CID 164758227

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

6-chloro-5-methoxy-4-[6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptan-2-yl]pyrrolo[2,1-f][1,2,4]triazine (PubChem CID 164758227) has the molecular formula C14H19ClN6O3S and a molecular weight of 386.87 g/mol. Its IUPAC name is 6-chloro-5-methoxy-4-[6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptan-2-yl]pyrrolo[2,1-f][1,2,4]triazine.

Molecular Properties

• Compound Name: 6-chloro-5-methoxy-4-[6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptan-2-yl]pyrrolo[2,1-f][1,2,4]triazine
• PubChem CID: 164758227
• Molecular Formula: C14H19ClN6O3S
• Molecular Weight: 386.87 g/mol
• Exact Mass: 386.09
• IUPAC Name: 6-chloro-5-methoxy-4-[6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptan-2-yl]pyrrolo[2,1-f][1,2,4]triazine
• SMILES: COc1c(Cl)cn2ncnc(N3CC4(CC(N(C)S(N)(=O)=O)C4)C3)c12
• InChI: InChI=1S/C14H19ClN6O3S/c1-19(25(16,22)23)9-3-14(4-9)6-20(7-14)13-11-12(24-2)10(15)5-21(11)18-8-17-13/h5,8-9H,3-4,6-7H2,1-2H3,(H2,16,22,23)
• InChIKey: YXFIIUUECKROKX-UHFFFAOYSA-N
• XLogP: 0.50
• TPSA: 106.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.87
LogP ≤ 5	0.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-methoxy-4-[6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptan-2-yl]pyrrolo[2,1-f][1,2,4]triazine?

The IUPAC name of 6-chloro-5-methoxy-4-[6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptan-2-yl]pyrrolo[2,1-f][1,2,4]triazine (CID 164758227) is 6-chloro-5-methoxy-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 6-chloro-5-methoxy-4-[6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptan-2-yl]pyrrolo[2,1-f][1,2,4]triazine?

The canonical SMILES for 6-chloro-5-methoxy-4-[6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptan-2-yl]pyrrolo[2,1-f][1,2,4]triazine is COc1c(Cl)cn2ncnc(N3CC4(CC(N(C)S(N)(=O)=O)C4)C3)c12.

What is the InChIKey of 6-chloro-5-methoxy-4-[6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptan-2-yl]pyrrolo[2,1-f][1,2,4]triazine?

The InChIKey is YXFIIUUECKROKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN6O3S/c1-19(25(16,22)23)9-3-14(4-9)6-20(7-14)13-11-12(24-2)10(15)5-21(11)18-8-17-13/h5,8-9H,3-4,6-7H2,1-2H3,(H2,16,22,23).

What are the key properties of 6-chloro-5-methoxy-4-[6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptan-2-yl]pyrrolo[2,1-f][1,2,4]triazine?

6-chloro-5-methoxy-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 386.87 g/mol, XLogP of 0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-5-methoxy-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 164758227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).