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

C24H30N4O3S — CID 159814401

IUPAC6-(6-azaspiro[2.5]octan-6-yl)-5-(2-methyl-1-oxo-7H-cyclopenta[c]pyridin-4-yl)-N-propan-2-ylpyridine-3-sulfonamide
SMILESCC(C)NS(=O)(=O)c1cnc(N2CCC3(CC2)CC3)c(-c2cn(C)c(=O)c3c2C=CC3)c1
InChIInChI=1S/C24H30N4O3S/c1-16(2)26-32(30,31)17-13-20(21-15-27(3)23(29)19-6-4-5-18(19)21)22(25-14-17)28-11-9-24(7-8-24)10-12-28/h4-5,13-16,26H,6-12H2,1-3H3
InChIKeyNLKVTKZGHCNCHL-UHFFFAOYSA-N
MW454.60 g/mol
LogP3.08
Rot. Bonds5

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

6-(6-azaspiro[2.5]octan-6-yl)-5-(2-methyl-1-oxo-7H-cyclopenta[c]pyridin-4-yl)-N-propan-2-ylpyridine-3-sulfonamide (PubChem CID 159814401) has the molecular formula C24H30N4O3S and a molecular weight of 454.60 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)-N-propan-2-ylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(6-azaspiro[2.5]octan-6-yl)-5-(2-methyl-1-oxo-7H-cyclopenta[c]pyridin-4-yl)-N-propan-2-ylpyridine-3-sulfonamide
PubChem CID159814401
Molecular FormulaC24H30N4O3S
Molecular Weight454.60 g/mol
Exact Mass454.20
IUPAC Name6-(6-azaspiro[2.5]octan-6-yl)-5-(2-methyl-1-oxo-7H-cyclopenta[c]pyridin-4-yl)-N-propan-2-ylpyridine-3-sulfonamide
SMILESCC(C)NS(=O)(=O)c1cnc(N2CCC3(CC2)CC3)c(-c2cn(C)c(=O)c3c2C=CC3)c1
InChIInChI=1S/C24H30N4O3S/c1-16(2)26-32(30,31)17-13-20(21-15-27(3)23(29)19-6-4-5-18(19)21)22(25-14-17)28-11-9-24(7-8-24)10-12-28/h4-5,13-16,26H,6-12H2,1-3H3
InChIKeyNLKVTKZGHCNCHL-UHFFFAOYSA-N
XLogP3.08
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.60
LogP ≤ 53.08
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)-N-propan-2-ylpyridine-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)-N-propan-2-ylpyridine-3-sulfonamide (CID 159814401) is 6-(6-azaspiro[2.5]octan-6-yl)-5-(2-methyl-1-oxo-7H-cyclopenta[c]pyridin-4-yl)-N-propan-2-ylpyridine-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)-N-propan-2-ylpyridine-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)-N-propan-2-ylpyridine-3-sulfonamide is CC(C)NS(=O)(=O)c1cnc(N2CCC3(CC2)CC3)c(-c2cn(C)c(=O)c3c2C=CC3)c1.
What is the InChIKey of 6-(6-azaspiro[2.5]octan-6-yl)-5-(2-methyl-1-oxo-7H-cyclopenta[c]pyridin-4-yl)-N-propan-2-ylpyridine-3-sulfonamide?
The InChIKey is NLKVTKZGHCNCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3S/c1-16(2)26-32(30,31)17-13-20(21-15-27(3)23(29)19-6-4-5-18(19)21)22(25-14-17)28-11-9-24(7-8-24)10-12-28/h4-5,13-16,26H,6-12H2,1-3H3.
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)-N-propan-2-ylpyridine-3-sulfonamide?
6-(6-azaspiro[2.5]octan-6-yl)-5-(2-methyl-1-oxo-7H-cyclopenta[c]pyridin-4-yl)-N-propan-2-ylpyridine-3-sulfonamide has a molecular weight of 454.60 g/mol, XLogP of 3.08, 5 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)-N-propan-2-ylpyridine-3-sulfonamide is sourced from PubChem (CID 159814401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).