N-[2-[[4-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]phenyl]methylamino]ethyl]-N-propylmethanesulfonamide

C25H37N5O3S — CID 123369956

IUPACN-[2-[[4-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]phenyl]methylamino]ethyl]-N-propylmethanesulfonamide
SMILESCCCN(CCNCc1ccc(-c2ccc3c(n2)n(C)c(=O)n3CC(C)(C)C)cc1)S(C)(=O)=O
InChIInChI=1S/C25H37N5O3S/c1-7-15-29(34(6,32)33)16-14-26-17-19-8-10-20(11-9-19)21-12-13-22-23(27-21)28(5)24(31)30(22)18-25(2,3)4/h8-13,26H,7,14-18H2,1-6H3
InChIKeyJVRPIHXVOTVPME-UHFFFAOYSA-N
MW487.67 g/mol
LogP3.21
Rot. Bonds10

About N-[2-[[4-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]phenyl]methylamino]ethyl]-N-propylmethanesulfonamide

N-[2-[[4-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]phenyl]methylamino]ethyl]-N-propylmethanesulfonamide (PubChem CID 123369956) has the molecular formula C25H37N5O3S and a molecular weight of 487.67 g/mol. Its IUPAC name is N-[2-[[4-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]phenyl]methylamino]ethyl]-N-propylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-[[4-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]phenyl]methylamino]ethyl]-N-propylmethanesulfonamide
PubChem CID123369956
Molecular FormulaC25H37N5O3S
Molecular Weight487.67 g/mol
Exact Mass487.26
IUPAC NameN-[2-[[4-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]phenyl]methylamino]ethyl]-N-propylmethanesulfonamide
SMILESCCCN(CCNCc1ccc(-c2ccc3c(n2)n(C)c(=O)n3CC(C)(C)C)cc1)S(C)(=O)=O
InChIInChI=1S/C25H37N5O3S/c1-7-15-29(34(6,32)33)16-14-26-17-19-8-10-20(11-9-19)21-12-13-22-23(27-21)28(5)24(31)30(22)18-25(2,3)4/h8-13,26H,7,14-18H2,1-6H3
InChIKeyJVRPIHXVOTVPME-UHFFFAOYSA-N
XLogP3.21
TPSA89.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.67
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]phenyl]methylamino]ethyl]-N-propylmethanesulfonamide?
The IUPAC name of N-[2-[[4-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]phenyl]methylamino]ethyl]-N-propylmethanesulfonamide (CID 123369956) is N-[2-[[4-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]phenyl]methylamino]ethyl]-N-propylmethanesulfonamide.
What is the SMILES notation for N-[2-[[4-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]phenyl]methylamino]ethyl]-N-propylmethanesulfonamide?
The canonical SMILES for N-[2-[[4-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]phenyl]methylamino]ethyl]-N-propylmethanesulfonamide is CCCN(CCNCc1ccc(-c2ccc3c(n2)n(C)c(=O)n3CC(C)(C)C)cc1)S(C)(=O)=O.
What is the InChIKey of N-[2-[[4-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]phenyl]methylamino]ethyl]-N-propylmethanesulfonamide?
The InChIKey is JVRPIHXVOTVPME-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N5O3S/c1-7-15-29(34(6,32)33)16-14-26-17-19-8-10-20(11-9-19)21-12-13-22-23(27-21)28(5)24(31)30(22)18-25(2,3)4/h8-13,26H,7,14-18H2,1-6H3.
What are the key properties of N-[2-[[4-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]phenyl]methylamino]ethyl]-N-propylmethanesulfonamide?
N-[2-[[4-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]phenyl]methylamino]ethyl]-N-propylmethanesulfonamide has a molecular weight of 487.67 g/mol, XLogP of 3.21, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]phenyl]methylamino]ethyl]-N-propylmethanesulfonamide is sourced from PubChem (CID 123369956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).