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

C13H21N3O3S — CID 118739685

IUPAC1-(cyclopropylmethyl)-7-(methoxymethyl)-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESCOCC1CN(S(C)(=O)=O)Cc2ncn(CC3CC3)c21
InChIInChI=1S/C13H21N3O3S/c1-19-8-11-6-16(20(2,17)18)7-12-13(11)15(9-14-12)5-10-3-4-10/h9-11H,3-8H2,1-2H3
InChIKeyYJHCDPOQIZOGRJ-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.80
Rot. Bonds5

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

1-(cyclopropylmethyl)-7-(methoxymethyl)-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine (PubChem CID 118739685) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-7-(methoxymethyl)-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-7-(methoxymethyl)-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
PubChem CID118739685
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name1-(cyclopropylmethyl)-7-(methoxymethyl)-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESCOCC1CN(S(C)(=O)=O)Cc2ncn(CC3CC3)c21
InChIInChI=1S/C13H21N3O3S/c1-19-8-11-6-16(20(2,17)18)7-12-13(11)15(9-14-12)5-10-3-4-10/h9-11H,3-8H2,1-2H3
InChIKeyYJHCDPOQIZOGRJ-UHFFFAOYSA-N
XLogP0.80
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(cyclopropylmethyl)-7-(methoxymethyl)-5-methylsulfonyl-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-(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-(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

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-7-(methoxymethyl)-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The IUPAC name of 1-(cyclopropylmethyl)-7-(methoxymethyl)-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine (CID 118739685) is 1-(cyclopropylmethyl)-7-(methoxymethyl)-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 1-(cyclopropylmethyl)-7-(methoxymethyl)-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The canonical SMILES for 1-(cyclopropylmethyl)-7-(methoxymethyl)-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine is COCC1CN(S(C)(=O)=O)Cc2ncn(CC3CC3)c21.
What is the InChIKey of 1-(cyclopropylmethyl)-7-(methoxymethyl)-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The InChIKey is YJHCDPOQIZOGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-19-8-11-6-16(20(2,17)18)7-12-13(11)15(9-14-12)5-10-3-4-10/h9-11H,3-8H2,1-2H3.
What are the key properties of 1-(cyclopropylmethyl)-7-(methoxymethyl)-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
1-(cyclopropylmethyl)-7-(methoxymethyl)-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine has a molecular weight of 299.40 g/mol, XLogP of 0.80, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-7-(methoxymethyl)-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 118739685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).