N-[6-(3,6-dimethylimidazo[4,5-c]pyridin-2-yl)-5-ethylsulfonyl-2-pyridinyl]methanesulfonamide

C16H19N5O4S2 — CID 134167191

IUPACN-[6-(3,6-dimethylimidazo[4,5-c]pyridin-2-yl)-5-ethylsulfonyl-2-pyridinyl]methanesulfonamide
SMILESCCS(=O)(=O)c1ccc(NS(C)(=O)=O)nc1-c1nc2cc(C)ncc2n1C
InChIInChI=1S/C16H19N5O4S2/c1-5-27(24,25)13-6-7-14(20-26(4,22)23)19-15(13)16-18-11-8-10(2)17-9-12(11)21(16)3/h6-9H,5H2,1-4H3,(H,19,20)
InChIKeyKKTKMVQUUMHFQV-UHFFFAOYSA-N
MW409.49 g/mol
LogP1.50
Rot. Bonds5

About N-[6-(3,6-dimethylimidazo[4,5-c]pyridin-2-yl)-5-ethylsulfonyl-2-pyridinyl]methanesulfonamide

N-[6-(3,6-dimethylimidazo[4,5-c]pyridin-2-yl)-5-ethylsulfonyl-2-pyridinyl]methanesulfonamide (PubChem CID 134167191) has the molecular formula C16H19N5O4S2 and a molecular weight of 409.49 g/mol. Its IUPAC name is N-[6-(3,6-dimethylimidazo[4,5-c]pyridin-2-yl)-5-ethylsulfonyl-2-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[6-(3,6-dimethylimidazo[4,5-c]pyridin-2-yl)-5-ethylsulfonyl-2-pyridinyl]methanesulfonamide
PubChem CID134167191
Molecular FormulaC16H19N5O4S2
Molecular Weight409.49 g/mol
Exact Mass409.09
IUPAC NameN-[6-(3,6-dimethylimidazo[4,5-c]pyridin-2-yl)-5-ethylsulfonyl-2-pyridinyl]methanesulfonamide
SMILESCCS(=O)(=O)c1ccc(NS(C)(=O)=O)nc1-c1nc2cc(C)ncc2n1C
InChIInChI=1S/C16H19N5O4S2/c1-5-27(24,25)13-6-7-14(20-26(4,22)23)19-15(13)16-18-11-8-10(2)17-9-12(11)21(16)3/h6-9H,5H2,1-4H3,(H,19,20)
InChIKeyKKTKMVQUUMHFQV-UHFFFAOYSA-N
XLogP1.50
TPSA123.91 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[6-(3,6-dimethylimidazo[4,5-c]pyridin-2-yl)-5-ethylsulfonyl-2-pyridinyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[6-(3,6-dimethylimidazo[4,5-c]pyridin-2-yl)-5-ethylsulfonyl-2-pyridinyl]methanesulfonamide?
The IUPAC name of N-[6-(3,6-dimethylimidazo[4,5-c]pyridin-2-yl)-5-ethylsulfonyl-2-pyridinyl]methanesulfonamide (CID 134167191) is N-[6-(3,6-dimethylimidazo[4,5-c]pyridin-2-yl)-5-ethylsulfonyl-2-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[6-(3,6-dimethylimidazo[4,5-c]pyridin-2-yl)-5-ethylsulfonyl-2-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[6-(3,6-dimethylimidazo[4,5-c]pyridin-2-yl)-5-ethylsulfonyl-2-pyridinyl]methanesulfonamide is CCS(=O)(=O)c1ccc(NS(C)(=O)=O)nc1-c1nc2cc(C)ncc2n1C.
What is the InChIKey of N-[6-(3,6-dimethylimidazo[4,5-c]pyridin-2-yl)-5-ethylsulfonyl-2-pyridinyl]methanesulfonamide?
The InChIKey is KKTKMVQUUMHFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O4S2/c1-5-27(24,25)13-6-7-14(20-26(4,22)23)19-15(13)16-18-11-8-10(2)17-9-12(11)21(16)3/h6-9H,5H2,1-4H3,(H,19,20).
What are the key properties of N-[6-(3,6-dimethylimidazo[4,5-c]pyridin-2-yl)-5-ethylsulfonyl-2-pyridinyl]methanesulfonamide?
N-[6-(3,6-dimethylimidazo[4,5-c]pyridin-2-yl)-5-ethylsulfonyl-2-pyridinyl]methanesulfonamide has a molecular weight of 409.49 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3,6-dimethylimidazo[4,5-c]pyridin-2-yl)-5-ethylsulfonyl-2-pyridinyl]methanesulfonamide is sourced from PubChem (CID 134167191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).