ethyl 1-ethyl-5-ethylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylate

C13H21N3O4S — CID 118739104

IUPACethyl 1-ethyl-5-ethylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylate
SMILESCCOC(=O)C1CN(S(=O)(=O)CC)Cc2ncn(CC)c21
InChIInChI=1S/C13H21N3O4S/c1-4-15-9-14-11-8-16(21(18,19)6-3)7-10(12(11)15)13(17)20-5-2/h9-10H,4-8H2,1-3H3
InChIKeyVQMOCZMAAXCYRE-UHFFFAOYSA-N
MW315.40 g/mol
LogP0.71
Rot. Bonds5

About ethyl 1-ethyl-5-ethylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylate

ethyl 1-ethyl-5-ethylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylate (PubChem CID 118739104) has the molecular formula C13H21N3O4S and a molecular weight of 315.40 g/mol. Its IUPAC name is ethyl 1-ethyl-5-ethylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylate.

Molecular Properties

Compound Nameethyl 1-ethyl-5-ethylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylate
PubChem CID118739104
Molecular FormulaC13H21N3O4S
Molecular Weight315.40 g/mol
Exact Mass315.13
IUPAC Nameethyl 1-ethyl-5-ethylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylate
SMILESCCOC(=O)C1CN(S(=O)(=O)CC)Cc2ncn(CC)c21
InChIInChI=1S/C13H21N3O4S/c1-4-15-9-14-11-8-16(21(18,19)6-3)7-10(12(11)15)13(17)20-5-2/h9-10H,4-8H2,1-3H3
InChIKeyVQMOCZMAAXCYRE-UHFFFAOYSA-N
XLogP0.71
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-cyclopropylsulfonyl-1-ethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylate
CID 118739093
ethyl 1-ethyl-5-(2-methoxyacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylate
CID 118739098
ethyl 1-ethyl-5-(oxane-4-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylate
CID 118739100
ethyl 1-ethyl-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylate
CID 118739103
1-(cyclopropylmethyl)-5-ethylsulfonyl-7-(methoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 118739264
1-(cyclopropylmethyl)-5-cyclopropylsulfonyl-7-(ethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 118739265
1-(cyclopropylmethyl)-5-cyclopropylsulfonyl-7-(methoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 118739269
1-[1-(cyclopropylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-methylsulfonylethanone
CID 118739274
1-(cyclopropylmethyl)-7-(methoxymethyl)-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 118739685
1-(cyclopropylmethyl)-7-(ethoxymethyl)-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 118739692
ethyl 5-(cyclopropylmethyl)-1-ethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylate
CID 118742998
7-(cyclopropylmethoxymethyl)-1-(cyclopropylmethyl)-5-ethylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 118743206

Frequently Asked Questions

What is the IUPAC name of ethyl 1-ethyl-5-ethylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylate?
The IUPAC name of ethyl 1-ethyl-5-ethylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylate (CID 118739104) is ethyl 1-ethyl-5-ethylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylate.
What is the SMILES notation for ethyl 1-ethyl-5-ethylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylate?
The canonical SMILES for ethyl 1-ethyl-5-ethylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylate is CCOC(=O)C1CN(S(=O)(=O)CC)Cc2ncn(CC)c21.
What is the InChIKey of ethyl 1-ethyl-5-ethylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylate?
The InChIKey is VQMOCZMAAXCYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4S/c1-4-15-9-14-11-8-16(21(18,19)6-3)7-10(12(11)15)13(17)20-5-2/h9-10H,4-8H2,1-3H3.
What are the key properties of ethyl 1-ethyl-5-ethylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylate?
ethyl 1-ethyl-5-ethylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylate has a molecular weight of 315.40 g/mol, XLogP of 0.71, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-ethyl-5-ethylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylate is sourced from PubChem (CID 118739104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).