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

C26H34N6O4S — CID 71117068

IUPACN-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]-2,1,3-benzoxadiazole-4-sulfonamide
SMILESCn1c(=O)n(CC(C)(C)C)c2ccc(C3CCC(C)(C)C(NS(=O)(=O)c4cccc5nonc45)C3)nc21
InChIInChI=1S/C26H34N6O4S/c1-25(2,3)15-32-19-11-10-17(27-23(19)31(6)24(32)33)16-12-13-26(4,5)21(14-16)30-37(34,35)20-9-7-8-18-22(20)29-36-28-18/h7-11,16,21,30H,12-15H2,1-6H3
InChIKeyBIPLTYVLZUNMRM-UHFFFAOYSA-N
MW526.66 g/mol
LogP3.96
Rot. Bonds5

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

N-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]-2,1,3-benzoxadiazole-4-sulfonamide (PubChem CID 71117068) has the molecular formula C26H34N6O4S and a molecular weight of 526.66 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]-2,1,3-benzoxadiazole-4-sulfonamide.

Molecular Properties

Compound NameN-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]-2,1,3-benzoxadiazole-4-sulfonamide
PubChem CID71117068
Molecular FormulaC26H34N6O4S
Molecular Weight526.66 g/mol
Exact Mass526.24
IUPAC NameN-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]-2,1,3-benzoxadiazole-4-sulfonamide
SMILESCn1c(=O)n(CC(C)(C)C)c2ccc(C3CCC(C)(C)C(NS(=O)(=O)c4cccc5nonc45)C3)nc21
InChIInChI=1S/C26H34N6O4S/c1-25(2,3)15-32-19-11-10-17(27-23(19)31(6)24(32)33)16-12-13-26(4,5)21(14-16)30-37(34,35)20-9-7-8-18-22(20)29-36-28-18/h7-11,16,21,30H,12-15H2,1-6H3
InChIKeyBIPLTYVLZUNMRM-UHFFFAOYSA-N
XLogP3.96
TPSA124.91 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.66
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

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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]-2,1,3-benzoxadiazole-4-sulfonamide?
The IUPAC name of N-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]-2,1,3-benzoxadiazole-4-sulfonamide (CID 71117068) is N-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]-2,1,3-benzoxadiazole-4-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]-2,1,3-benzoxadiazole-4-sulfonamide?
The canonical SMILES for N-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]-2,1,3-benzoxadiazole-4-sulfonamide is Cn1c(=O)n(CC(C)(C)C)c2ccc(C3CCC(C)(C)C(NS(=O)(=O)c4cccc5nonc45)C3)nc21.
What is the InChIKey of N-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]-2,1,3-benzoxadiazole-4-sulfonamide?
The InChIKey is BIPLTYVLZUNMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6O4S/c1-25(2,3)15-32-19-11-10-17(27-23(19)31(6)24(32)33)16-12-13-26(4,5)21(14-16)30-37(34,35)20-9-7-8-18-22(20)29-36-28-18/h7-11,16,21,30H,12-15H2,1-6H3.
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]-2,1,3-benzoxadiazole-4-sulfonamide?
N-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]-2,1,3-benzoxadiazole-4-sulfonamide has a molecular weight of 526.66 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 9 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]-2,1,3-benzoxadiazole-4-sulfonamide is sourced from PubChem (CID 71117068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).