3-[4-amino-2-(ethoxymethyl)-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]-N-methylpropane-1-sulfonamide

C15H25N5O3S — CID 69226312

IUPAC3-[4-amino-2-(ethoxymethyl)-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]-N-methylpropane-1-sulfonamide
SMILESCCOCc1nc2c(N)nc(C)c(C)c2n1CCCS(=O)(=O)NC
InChIInChI=1S/C15H25N5O3S/c1-5-23-9-12-19-13-14(10(2)11(3)18-15(13)16)20(12)7-6-8-24(21,22)17-4/h17H,5-9H2,1-4H3,(H2,16,18)
InChIKeyUWYDWZNELJOFKE-UHFFFAOYSA-N
MW355.46 g/mol
LogP1.11
Rot. Bonds8

About 3-[4-amino-2-(ethoxymethyl)-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]-N-methylpropane-1-sulfonamide

3-[4-amino-2-(ethoxymethyl)-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]-N-methylpropane-1-sulfonamide (PubChem CID 69226312) has the molecular formula C15H25N5O3S and a molecular weight of 355.46 g/mol. Its IUPAC name is 3-[4-amino-2-(ethoxymethyl)-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]-N-methylpropane-1-sulfonamide.

Molecular Properties

Compound Name3-[4-amino-2-(ethoxymethyl)-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]-N-methylpropane-1-sulfonamide
PubChem CID69226312
Molecular FormulaC15H25N5O3S
Molecular Weight355.46 g/mol
Exact Mass355.17
IUPAC Name3-[4-amino-2-(ethoxymethyl)-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]-N-methylpropane-1-sulfonamide
SMILESCCOCc1nc2c(N)nc(C)c(C)c2n1CCCS(=O)(=O)NC
InChIInChI=1S/C15H25N5O3S/c1-5-23-9-12-19-13-14(10(2)11(3)18-15(13)16)20(12)7-6-8-24(21,22)17-4/h17H,5-9H2,1-4H3,(H2,16,18)
InChIKeyUWYDWZNELJOFKE-UHFFFAOYSA-N
XLogP1.11
TPSA112.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[3-[4-amino-2-(ethoxymethyl)-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]propyl]-3-(4-methylphenyl)sulfonylurea
CID 22729809
N-[3-[4-amino-2-(ethoxymethyl)-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]propyl]-1-[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonamide
CID 59041063
1-[3-[4-amino-2-(ethoxymethyl)-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]propyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 22729795
5-[4-amino-6,7-dimethyl-2-[(prop-1-en-2-ylamino)oxymethyl]imidazo[4,5-c]pyridin-1-yl]pentane-1-sulfonamide
CID 91223283
1-[4-[2-[4-amino-2-(ethoxymethyl)-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]ethyl]piperidin-1-yl]-2-methylpropan-1-one
CID 10150797
1-[2-[3-(1,1-dihydroxy-1,2-thiazolidin-2-yl)propoxy]ethyl]-2-(ethoxymethyl)-6,7-dimethylimidazo[4,5-c]pyridin-4-amine
CID 69192555
2-[4-amino-2-(ethoxymethyl)-6-methyl-1-(2-methylpropyl)imidazo[4,5-c]pyridin-7-yl]ethanesulfonic acid
CID 91476180
4-[4-amino-2-(ethoxymethyl)imidazo[4,5-c][1,5]naphthyridin-1-yl]butane-1-sulfonamide
CID 68999199
5-[4-amino-2-(1-methoxyethyl)-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]-N-butylpentane-1-sulfonamide
CID 69228257
5-(4-amino-6,7-dimethyl-2-propylimidazo[4,5-c]pyridin-1-yl)pentan-2-one
CID 58837336
4-[2-[4-amino-2-(ethoxymethyl)-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]ethyl]-N-phenylpiperidine-1-carbothioamide
CID 22729728
N-[4-[4-amino-6,7-dimethyl-2-[(prop-1-en-2-ylamino)oxymethyl]imidazo[4,5-c]pyridin-1-yl]butyl]-2-methylpropanamide
CID 91464354

Frequently Asked Questions

What is the IUPAC name of 3-[4-amino-2-(ethoxymethyl)-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]-N-methylpropane-1-sulfonamide?
The IUPAC name of 3-[4-amino-2-(ethoxymethyl)-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]-N-methylpropane-1-sulfonamide (CID 69226312) is 3-[4-amino-2-(ethoxymethyl)-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]-N-methylpropane-1-sulfonamide.
What is the SMILES notation for 3-[4-amino-2-(ethoxymethyl)-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]-N-methylpropane-1-sulfonamide?
The canonical SMILES for 3-[4-amino-2-(ethoxymethyl)-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]-N-methylpropane-1-sulfonamide is CCOCc1nc2c(N)nc(C)c(C)c2n1CCCS(=O)(=O)NC.
What is the InChIKey of 3-[4-amino-2-(ethoxymethyl)-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]-N-methylpropane-1-sulfonamide?
The InChIKey is UWYDWZNELJOFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O3S/c1-5-23-9-12-19-13-14(10(2)11(3)18-15(13)16)20(12)7-6-8-24(21,22)17-4/h17H,5-9H2,1-4H3,(H2,16,18).
What are the key properties of 3-[4-amino-2-(ethoxymethyl)-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]-N-methylpropane-1-sulfonamide?
3-[4-amino-2-(ethoxymethyl)-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]-N-methylpropane-1-sulfonamide has a molecular weight of 355.46 g/mol, XLogP of 1.11, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-amino-2-(ethoxymethyl)-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]-N-methylpropane-1-sulfonamide is sourced from PubChem (CID 69226312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).