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

C18H25ClN6O2S — CID 164757963

IUPAC7-chloro-4-[6-[2-cyclopropylethyl(sulfamoyl)amino]-2-azaspiro[3.3]heptan-2-yl]-5-methylpyrrolo[2,1-f][1,2,4]triazine
SMILESCc1cc(Cl)n2ncnc(N3CC4(CC(N(CCC5CC5)S(N)(=O)=O)C4)C3)c12
InChIInChI=1S/C18H25ClN6O2S/c1-12-6-15(19)25-16(12)17(21-11-22-25)23-9-18(10-23)7-14(8-18)24(28(20,26)27)5-4-13-2-3-13/h6,11,13-14H,2-5,7-10H2,1H3,(H2,20,26,27)
InChIKeySTPVAXQYEDSJFN-UHFFFAOYSA-N
MW424.96 g/mol
LogP1.97
Rot. Bonds6

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

7-chloro-4-[6-[2-cyclopropylethyl(sulfamoyl)amino]-2-azaspiro[3.3]heptan-2-yl]-5-methylpyrrolo[2,1-f][1,2,4]triazine (PubChem CID 164757963) has the molecular formula C18H25ClN6O2S and a molecular weight of 424.96 g/mol. Its IUPAC name is 7-chloro-4-[6-[2-cyclopropylethyl(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-cyclopropylethyl(sulfamoyl)amino]-2-azaspiro[3.3]heptan-2-yl]-5-methylpyrrolo[2,1-f][1,2,4]triazine
PubChem CID164757963
Molecular FormulaC18H25ClN6O2S
Molecular Weight424.96 g/mol
Exact Mass424.14
IUPAC Name7-chloro-4-[6-[2-cyclopropylethyl(sulfamoyl)amino]-2-azaspiro[3.3]heptan-2-yl]-5-methylpyrrolo[2,1-f][1,2,4]triazine
SMILESCc1cc(Cl)n2ncnc(N3CC4(CC(N(CCC5CC5)S(N)(=O)=O)C4)C3)c12
InChIInChI=1S/C18H25ClN6O2S/c1-12-6-15(19)25-16(12)17(21-11-22-25)23-9-18(10-23)7-14(8-18)24(28(20,26)27)5-4-13-2-3-13/h6,11,13-14H,2-5,7-10H2,1H3,(H2,20,26,27)
InChIKeySTPVAXQYEDSJFN-UHFFFAOYSA-N
XLogP1.97
TPSA96.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.96
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-chloro-4-[6-[2-cyclopropylethyl(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-cyclopropylethyl(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-cyclopropylethyl(sulfamoyl)amino]-2-azaspiro[3.3]heptan-2-yl]-5-methylpyrrolo[2,1-f][1,2,4]triazine (CID 164757963) is 7-chloro-4-[6-[2-cyclopropylethyl(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-cyclopropylethyl(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-cyclopropylethyl(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(CCC5CC5)S(N)(=O)=O)C4)C3)c12.
What is the InChIKey of 7-chloro-4-[6-[2-cyclopropylethyl(sulfamoyl)amino]-2-azaspiro[3.3]heptan-2-yl]-5-methylpyrrolo[2,1-f][1,2,4]triazine?
The InChIKey is STPVAXQYEDSJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN6O2S/c1-12-6-15(19)25-16(12)17(21-11-22-25)23-9-18(10-23)7-14(8-18)24(28(20,26)27)5-4-13-2-3-13/h6,11,13-14H,2-5,7-10H2,1H3,(H2,20,26,27).
What are the key properties of 7-chloro-4-[6-[2-cyclopropylethyl(sulfamoyl)amino]-2-azaspiro[3.3]heptan-2-yl]-5-methylpyrrolo[2,1-f][1,2,4]triazine?
7-chloro-4-[6-[2-cyclopropylethyl(sulfamoyl)amino]-2-azaspiro[3.3]heptan-2-yl]-5-methylpyrrolo[2,1-f][1,2,4]triazine has a molecular weight of 424.96 g/mol, XLogP of 1.97, 6 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-cyclopropylethyl(sulfamoyl)amino]-2-azaspiro[3.3]heptan-2-yl]-5-methylpyrrolo[2,1-f][1,2,4]triazine is sourced from PubChem (CID 164757963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).