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

C16H25N3O3S — CID 118739265

IUPAC1-(cyclopropylmethyl)-5-cyclopropylsulfonyl-7-(ethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESCCOCC1CN(S(=O)(=O)C2CC2)Cc2ncn(CC3CC3)c21
InChIInChI=1S/C16H25N3O3S/c1-2-22-10-13-8-19(23(20,21)14-5-6-14)9-15-16(13)18(11-17-15)7-12-3-4-12/h11-14H,2-10H2,1H3
InChIKeyMSEJEMKEJMBPRO-UHFFFAOYSA-N
MW339.46 g/mol
LogP1.72
Rot. Bonds7

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

1-(cyclopropylmethyl)-5-cyclopropylsulfonyl-7-(ethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine (PubChem CID 118739265) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-5-cyclopropylsulfonyl-7-(ethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-5-cyclopropylsulfonyl-7-(ethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
PubChem CID118739265
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC Name1-(cyclopropylmethyl)-5-cyclopropylsulfonyl-7-(ethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESCCOCC1CN(S(=O)(=O)C2CC2)Cc2ncn(CC3CC3)c21
InChIInChI=1S/C16H25N3O3S/c1-2-22-10-13-8-19(23(20,21)14-5-6-14)9-15-16(13)18(11-17-15)7-12-3-4-12/h11-14H,2-10H2,1H3
InChIKeyMSEJEMKEJMBPRO-UHFFFAOYSA-N
XLogP1.72
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

1-(cyclopropylmethyl)-5-(2-methoxyethylsulfonyl)-2-neopentyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
CID 45269488
2-tert-butyl-1-(cyclopropylmethyl)-5-(2-methoxyethylsulfonyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
CID 45272056
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
1,5-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
1-(cyclopropylmethyl)-7-(ethoxymethyl)-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 118739692
1-(cyclopropylmethyl)-7-(methoxymethyl)-N,N-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-sulfonamide
CID 118743204

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-5-cyclopropylsulfonyl-7-(ethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The IUPAC name of 1-(cyclopropylmethyl)-5-cyclopropylsulfonyl-7-(ethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine (CID 118739265) is 1-(cyclopropylmethyl)-5-cyclopropylsulfonyl-7-(ethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 1-(cyclopropylmethyl)-5-cyclopropylsulfonyl-7-(ethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The canonical SMILES for 1-(cyclopropylmethyl)-5-cyclopropylsulfonyl-7-(ethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine is CCOCC1CN(S(=O)(=O)C2CC2)Cc2ncn(CC3CC3)c21.
What is the InChIKey of 1-(cyclopropylmethyl)-5-cyclopropylsulfonyl-7-(ethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The InChIKey is MSEJEMKEJMBPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-2-22-10-13-8-19(23(20,21)14-5-6-14)9-15-16(13)18(11-17-15)7-12-3-4-12/h11-14H,2-10H2,1H3.
What are the key properties of 1-(cyclopropylmethyl)-5-cyclopropylsulfonyl-7-(ethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
1-(cyclopropylmethyl)-5-cyclopropylsulfonyl-7-(ethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine has a molecular weight of 339.46 g/mol, XLogP of 1.72, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-5-cyclopropylsulfonyl-7-(ethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 118739265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).