6-(6-azaspiro[2.5]octan-6-yl)-5-(2-methyl-1-oxo-7H-cyclopenta[c]pyridin-4-yl)pyridine-3-sulfonamide

C21H24N4O3S — CID 157193586

IUPAC6-(6-azaspiro[2.5]octan-6-yl)-5-(2-methyl-1-oxo-7H-cyclopenta[c]pyridin-4-yl)pyridine-3-sulfonamide
SMILESCn1cc(-c2cc(S(N)(=O)=O)cnc2N2CCC3(CC2)CC3)c2c(c1=O)CC=C2
InChIInChI=1S/C21H24N4O3S/c1-24-13-18(15-3-2-4-16(15)20(24)26)17-11-14(29(22,27)28)12-23-19(17)25-9-7-21(5-6-21)8-10-25/h2-3,11-13H,4-10H2,1H3,(H2,22,27,28)
InChIKeyXLSQRUXNGNDPQY-UHFFFAOYSA-N
MW412.52 g/mol
LogP2.04
Rot. Bonds3

About 6-(6-azaspiro[2.5]octan-6-yl)-5-(2-methyl-1-oxo-7H-cyclopenta[c]pyridin-4-yl)pyridine-3-sulfonamide

6-(6-azaspiro[2.5]octan-6-yl)-5-(2-methyl-1-oxo-7H-cyclopenta[c]pyridin-4-yl)pyridine-3-sulfonamide (PubChem CID 157193586) has the molecular formula C21H24N4O3S and a molecular weight of 412.52 g/mol. Its IUPAC name is 6-(6-azaspiro[2.5]octan-6-yl)-5-(2-methyl-1-oxo-7H-cyclopenta[c]pyridin-4-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(6-azaspiro[2.5]octan-6-yl)-5-(2-methyl-1-oxo-7H-cyclopenta[c]pyridin-4-yl)pyridine-3-sulfonamide
PubChem CID157193586
Molecular FormulaC21H24N4O3S
Molecular Weight412.52 g/mol
Exact Mass412.16
IUPAC Name6-(6-azaspiro[2.5]octan-6-yl)-5-(2-methyl-1-oxo-7H-cyclopenta[c]pyridin-4-yl)pyridine-3-sulfonamide
SMILESCn1cc(-c2cc(S(N)(=O)=O)cnc2N2CCC3(CC2)CC3)c2c(c1=O)CC=C2
InChIInChI=1S/C21H24N4O3S/c1-24-13-18(15-3-2-4-16(15)20(24)26)17-11-14(29(22,27)28)12-23-19(17)25-9-7-21(5-6-21)8-10-25/h2-3,11-13H,4-10H2,1H3,(H2,22,27,28)
InChIKeyXLSQRUXNGNDPQY-UHFFFAOYSA-N
XLogP2.04
TPSA98.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.52
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(6-azaspiro[2.5]octan-6-yl)-5-(2-methyl-1-oxo-7H-cyclopenta[c]pyridin-4-yl)pyridine-3-sulfonamide?
The IUPAC name of 6-(6-azaspiro[2.5]octan-6-yl)-5-(2-methyl-1-oxo-7H-cyclopenta[c]pyridin-4-yl)pyridine-3-sulfonamide (CID 157193586) is 6-(6-azaspiro[2.5]octan-6-yl)-5-(2-methyl-1-oxo-7H-cyclopenta[c]pyridin-4-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-(6-azaspiro[2.5]octan-6-yl)-5-(2-methyl-1-oxo-7H-cyclopenta[c]pyridin-4-yl)pyridine-3-sulfonamide?
The canonical SMILES for 6-(6-azaspiro[2.5]octan-6-yl)-5-(2-methyl-1-oxo-7H-cyclopenta[c]pyridin-4-yl)pyridine-3-sulfonamide is Cn1cc(-c2cc(S(N)(=O)=O)cnc2N2CCC3(CC2)CC3)c2c(c1=O)CC=C2.
What is the InChIKey of 6-(6-azaspiro[2.5]octan-6-yl)-5-(2-methyl-1-oxo-7H-cyclopenta[c]pyridin-4-yl)pyridine-3-sulfonamide?
The InChIKey is XLSQRUXNGNDPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3S/c1-24-13-18(15-3-2-4-16(15)20(24)26)17-11-14(29(22,27)28)12-23-19(17)25-9-7-21(5-6-21)8-10-25/h2-3,11-13H,4-10H2,1H3,(H2,22,27,28).
What are the key properties of 6-(6-azaspiro[2.5]octan-6-yl)-5-(2-methyl-1-oxo-7H-cyclopenta[c]pyridin-4-yl)pyridine-3-sulfonamide?
6-(6-azaspiro[2.5]octan-6-yl)-5-(2-methyl-1-oxo-7H-cyclopenta[c]pyridin-4-yl)pyridine-3-sulfonamide has a molecular weight of 412.52 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-azaspiro[2.5]octan-6-yl)-5-(2-methyl-1-oxo-7H-cyclopenta[c]pyridin-4-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 157193586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).