N-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]propane-1-sulfonamide

C23H38N4O3S — CID 71116940

IUPACN-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1CC(c2ccc3c(n2)n(C)c(=O)n3CC(C)(C)C)CCC1(C)C
InChIInChI=1S/C23H38N4O3S/c1-8-13-31(29,30)25-19-14-16(11-12-23(19,5)6)17-9-10-18-20(24-17)26(7)21(28)27(18)15-22(2,3)4/h9-10,16,19,25H,8,11-15H2,1-7H3
InChIKeyHOJGWQVNDLRVKD-UHFFFAOYSA-N
MW450.65 g/mol
LogP3.77
Rot. Bonds6

About N-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]propane-1-sulfonamide

N-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]propane-1-sulfonamide (PubChem CID 71116940) has the molecular formula C23H38N4O3S and a molecular weight of 450.65 g/mol. Its IUPAC name is N-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]propane-1-sulfonamide
PubChem CID71116940
Molecular FormulaC23H38N4O3S
Molecular Weight450.65 g/mol
Exact Mass450.27
IUPAC NameN-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1CC(c2ccc3c(n2)n(C)c(=O)n3CC(C)(C)C)CCC1(C)C
InChIInChI=1S/C23H38N4O3S/c1-8-13-31(29,30)25-19-14-16(11-12-23(19,5)6)17-9-10-18-20(24-17)26(7)21(28)27(18)15-22(2,3)4/h9-10,16,19,25H,8,11-15H2,1-7H3
InChIKeyHOJGWQVNDLRVKD-UHFFFAOYSA-N
XLogP3.77
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.65
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]propane-1-sulfonamide?
The IUPAC name of N-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]propane-1-sulfonamide (CID 71116940) is N-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]propane-1-sulfonamide.
What is the SMILES notation for N-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]propane-1-sulfonamide?
The canonical SMILES for N-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]propane-1-sulfonamide is CCCS(=O)(=O)NC1CC(c2ccc3c(n2)n(C)c(=O)n3CC(C)(C)C)CCC1(C)C.
What is the InChIKey of N-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]propane-1-sulfonamide?
The InChIKey is HOJGWQVNDLRVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N4O3S/c1-8-13-31(29,30)25-19-14-16(11-12-23(19,5)6)17-9-10-18-20(24-17)26(7)21(28)27(18)15-22(2,3)4/h9-10,16,19,25H,8,11-15H2,1-7H3.
What are the key properties of N-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]propane-1-sulfonamide?
N-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]propane-1-sulfonamide has a molecular weight of 450.65 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]propane-1-sulfonamide is sourced from PubChem (CID 71116940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).