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

C26H36N6O4S — CID 135220806

IUPAC1-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]-3H-2,1,3-benzoxadiazole-4-sulfonamide
SMILESCn1c(=O)n(CC(C)(C)C)c2ccc(C3CCC(C)(C)C(N4ONc5c4cccc5S(N)(=O)=O)C3)nc21
InChIInChI=1S/C26H36N6O4S/c1-25(2,3)15-31-19-11-10-17(28-23(19)30(6)24(31)33)16-12-13-26(4,5)21(14-16)32-18-8-7-9-20(37(27,34)35)22(18)29-36-32/h7-11,16,21,29H,12-15H2,1-6H3,(H2,27,34,35)
InChIKeyOVZDDPZBPHJCNH-UHFFFAOYSA-N
MW528.68 g/mol
LogP3.87
Rot. Bonds4

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

1-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]-3H-2,1,3-benzoxadiazole-4-sulfonamide (PubChem CID 135220806) has the molecular formula C26H36N6O4S and a molecular weight of 528.68 g/mol. Its IUPAC name is 1-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]-3H-2,1,3-benzoxadiazole-4-sulfonamide.

Molecular Properties

Compound Name1-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]-3H-2,1,3-benzoxadiazole-4-sulfonamide
PubChem CID135220806
Molecular FormulaC26H36N6O4S
Molecular Weight528.68 g/mol
Exact Mass528.25
IUPAC Name1-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]-3H-2,1,3-benzoxadiazole-4-sulfonamide
SMILESCn1c(=O)n(CC(C)(C)C)c2ccc(C3CCC(C)(C)C(N4ONc5c4cccc5S(N)(=O)=O)C3)nc21
InChIInChI=1S/C26H36N6O4S/c1-25(2,3)15-31-19-11-10-17(28-23(19)30(6)24(31)33)16-12-13-26(4,5)21(14-16)32-18-8-7-9-20(37(27,34)35)22(18)29-36-32/h7-11,16,21,29H,12-15H2,1-6H3,(H2,27,34,35)
InChIKeyOVZDDPZBPHJCNH-UHFFFAOYSA-N
XLogP3.87
TPSA124.48 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.68
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]-3H-2,1,3-benzoxadiazole-4-sulfonamide?
The IUPAC name of 1-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]-3H-2,1,3-benzoxadiazole-4-sulfonamide (CID 135220806) is 1-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]-3H-2,1,3-benzoxadiazole-4-sulfonamide.
What is the SMILES notation for 1-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]-3H-2,1,3-benzoxadiazole-4-sulfonamide?
The canonical SMILES for 1-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]-3H-2,1,3-benzoxadiazole-4-sulfonamide is Cn1c(=O)n(CC(C)(C)C)c2ccc(C3CCC(C)(C)C(N4ONc5c4cccc5S(N)(=O)=O)C3)nc21.
What is the InChIKey of 1-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]-3H-2,1,3-benzoxadiazole-4-sulfonamide?
The InChIKey is OVZDDPZBPHJCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N6O4S/c1-25(2,3)15-31-19-11-10-17(28-23(19)30(6)24(31)33)16-12-13-26(4,5)21(14-16)32-18-8-7-9-20(37(27,34)35)22(18)29-36-32/h7-11,16,21,29H,12-15H2,1-6H3,(H2,27,34,35).
What are the key properties of 1-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]-3H-2,1,3-benzoxadiazole-4-sulfonamide?
1-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]-3H-2,1,3-benzoxadiazole-4-sulfonamide has a molecular weight of 528.68 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]-3H-2,1,3-benzoxadiazole-4-sulfonamide is sourced from PubChem (CID 135220806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).