7-chloro-4-[4-[2,2-difluoropropyl(sulfamoyl)amino]piperidin-1-yl]-5-methylpyrrolo[2,1-f][1,2,4]triazine

C15H21ClF2N6O2S — CID 163275001

IUPAC7-chloro-4-[4-[2,2-difluoropropyl(sulfamoyl)amino]piperidin-1-yl]-5-methylpyrrolo[2,1-f][1,2,4]triazine
SMILESCc1cc(Cl)n2ncnc(N3CCC(N(CC(C)(F)F)S(N)(=O)=O)CC3)c12
InChIInChI=1S/C15H21ClF2N6O2S/c1-10-7-12(16)24-13(10)14(20-9-21-24)22-5-3-11(4-6-22)23(27(19,25)26)8-15(2,17)18/h7,9,11H,3-6,8H2,1-2H3,(H2,19,25,26)
InChIKeyRUIKRMOGFBKGCG-UHFFFAOYSA-N
MW422.89 g/mol
LogP1.82
Rot. Bonds5

About 7-chloro-4-[4-[2,2-difluoropropyl(sulfamoyl)amino]piperidin-1-yl]-5-methylpyrrolo[2,1-f][1,2,4]triazine

7-chloro-4-[4-[2,2-difluoropropyl(sulfamoyl)amino]piperidin-1-yl]-5-methylpyrrolo[2,1-f][1,2,4]triazine (PubChem CID 163275001) has the molecular formula C15H21ClF2N6O2S and a molecular weight of 422.89 g/mol. Its IUPAC name is 7-chloro-4-[4-[2,2-difluoropropyl(sulfamoyl)amino]piperidin-1-yl]-5-methylpyrrolo[2,1-f][1,2,4]triazine.

Molecular Properties

Compound Name7-chloro-4-[4-[2,2-difluoropropyl(sulfamoyl)amino]piperidin-1-yl]-5-methylpyrrolo[2,1-f][1,2,4]triazine
PubChem CID163275001
Molecular FormulaC15H21ClF2N6O2S
Molecular Weight422.89 g/mol
Exact Mass422.11
IUPAC Name7-chloro-4-[4-[2,2-difluoropropyl(sulfamoyl)amino]piperidin-1-yl]-5-methylpyrrolo[2,1-f][1,2,4]triazine
SMILESCc1cc(Cl)n2ncnc(N3CCC(N(CC(C)(F)F)S(N)(=O)=O)CC3)c12
InChIInChI=1S/C15H21ClF2N6O2S/c1-10-7-12(16)24-13(10)14(20-9-21-24)22-5-3-11(4-6-22)23(27(19,25)26)8-15(2,17)18/h7,9,11H,3-6,8H2,1-2H3,(H2,19,25,26)
InChIKeyRUIKRMOGFBKGCG-UHFFFAOYSA-N
XLogP1.82
TPSA96.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.89
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(4-aminopiperidin-1-yl)methyl]-N-(3-chloro-4-fluorophenyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 11440253
5-((4-aminopiperidin-1-yl)methyl)-N-(3-chlorophenyl)pyrrolo[1,2-f][1,2,4]triazin-4-amine
CID 21874200
(3-Chloro-4-fluoro-phenyl)-(5-methyl-pyrrolo[2,1-f][1,2,4]triazin-4-yl)-amine
CID 11357877
5-[(4-aminopiperidin-1-yl)methyl]-N-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 53322057
US10085984, Example 95
CID 135186326
US10085984, Example 73
CID 135186354
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-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
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

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-[4-[2,2-difluoropropyl(sulfamoyl)amino]piperidin-1-yl]-5-methylpyrrolo[2,1-f][1,2,4]triazine?
The IUPAC name of 7-chloro-4-[4-[2,2-difluoropropyl(sulfamoyl)amino]piperidin-1-yl]-5-methylpyrrolo[2,1-f][1,2,4]triazine (CID 163275001) is 7-chloro-4-[4-[2,2-difluoropropyl(sulfamoyl)amino]piperidin-1-yl]-5-methylpyrrolo[2,1-f][1,2,4]triazine.
What is the SMILES notation for 7-chloro-4-[4-[2,2-difluoropropyl(sulfamoyl)amino]piperidin-1-yl]-5-methylpyrrolo[2,1-f][1,2,4]triazine?
The canonical SMILES for 7-chloro-4-[4-[2,2-difluoropropyl(sulfamoyl)amino]piperidin-1-yl]-5-methylpyrrolo[2,1-f][1,2,4]triazine is Cc1cc(Cl)n2ncnc(N3CCC(N(CC(C)(F)F)S(N)(=O)=O)CC3)c12.
What is the InChIKey of 7-chloro-4-[4-[2,2-difluoropropyl(sulfamoyl)amino]piperidin-1-yl]-5-methylpyrrolo[2,1-f][1,2,4]triazine?
The InChIKey is RUIKRMOGFBKGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClF2N6O2S/c1-10-7-12(16)24-13(10)14(20-9-21-24)22-5-3-11(4-6-22)23(27(19,25)26)8-15(2,17)18/h7,9,11H,3-6,8H2,1-2H3,(H2,19,25,26).
What are the key properties of 7-chloro-4-[4-[2,2-difluoropropyl(sulfamoyl)amino]piperidin-1-yl]-5-methylpyrrolo[2,1-f][1,2,4]triazine?
7-chloro-4-[4-[2,2-difluoropropyl(sulfamoyl)amino]piperidin-1-yl]-5-methylpyrrolo[2,1-f][1,2,4]triazine has a molecular weight of 422.89 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-[4-[2,2-difluoropropyl(sulfamoyl)amino]piperidin-1-yl]-5-methylpyrrolo[2,1-f][1,2,4]triazine is sourced from PubChem (CID 163275001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).