1-(cyclopropylmethyl)-7-(ethoxymethyl)-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine

C14H23N3O3S — CID 118739692

IUPAC1-(cyclopropylmethyl)-7-(ethoxymethyl)-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESCCOCC1CN(S(C)(=O)=O)Cc2ncn(CC3CC3)c21
InChIInChI=1S/C14H23N3O3S/c1-3-20-9-12-7-17(21(2,18)19)8-13-14(12)16(10-15-13)6-11-4-5-11/h10-12H,3-9H2,1-2H3
InChIKeyNKENEMILJGWMOF-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.19
Rot. Bonds6

About 1-(cyclopropylmethyl)-7-(ethoxymethyl)-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine

1-(cyclopropylmethyl)-7-(ethoxymethyl)-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine (PubChem CID 118739692) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-7-(ethoxymethyl)-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-7-(ethoxymethyl)-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
PubChem CID118739692
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name1-(cyclopropylmethyl)-7-(ethoxymethyl)-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESCCOCC1CN(S(C)(=O)=O)Cc2ncn(CC3CC3)c21
InChIInChI=1S/C14H23N3O3S/c1-3-20-9-12-7-17(21(2,18)19)8-13-14(12)16(10-15-13)6-11-4-5-11/h10-12H,3-9H2,1-2H3
InChIKeyNKENEMILJGWMOF-UHFFFAOYSA-N
XLogP1.19
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(cyclopropylmethyl)-7-(ethoxymethyl)-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine with MolForge

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

Launch Full Analysis

Related Compounds

ethyl 5-cyclopropylsulfonyl-1-ethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylate
CID 118739093
ethyl 1-ethyl-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylate
CID 118739103
ethyl 1-ethyl-5-ethylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylate
CID 118739104
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
1,5-bis(cyclopropylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 118739266
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
ethyl 5-(cyclopropylmethyl)-1-ethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylate
CID 118742998
1-(cyclopropylmethyl)-7-(methoxymethyl)-N,N-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-sulfonamide
CID 118743204
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 1-(cyclopropylmethyl)-7-(ethoxymethyl)-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The IUPAC name of 1-(cyclopropylmethyl)-7-(ethoxymethyl)-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine (CID 118739692) is 1-(cyclopropylmethyl)-7-(ethoxymethyl)-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 1-(cyclopropylmethyl)-7-(ethoxymethyl)-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The canonical SMILES for 1-(cyclopropylmethyl)-7-(ethoxymethyl)-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine is CCOCC1CN(S(C)(=O)=O)Cc2ncn(CC3CC3)c21.
What is the InChIKey of 1-(cyclopropylmethyl)-7-(ethoxymethyl)-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The InChIKey is NKENEMILJGWMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-3-20-9-12-7-17(21(2,18)19)8-13-14(12)16(10-15-13)6-11-4-5-11/h10-12H,3-9H2,1-2H3.
What are the key properties of 1-(cyclopropylmethyl)-7-(ethoxymethyl)-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
1-(cyclopropylmethyl)-7-(ethoxymethyl)-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine has a molecular weight of 313.42 g/mol, XLogP of 1.19, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-7-(ethoxymethyl)-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 118739692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).