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

C17H27N3O3S — CID 118743206

IUPAC7-(cyclopropylmethoxymethyl)-1-(cyclopropylmethyl)-5-ethylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESCCS(=O)(=O)N1Cc2ncn(CC3CC3)c2C(COCC2CC2)C1
InChIInChI=1S/C17H27N3O3S/c1-2-24(21,22)20-8-15(11-23-10-14-5-6-14)17-16(9-20)18-12-19(17)7-13-3-4-13/h12-15H,2-11H2,1H3
InChIKeyJAHJGAGIGDPWEL-UHFFFAOYSA-N
MW353.49 g/mol
LogP1.97
Rot. Bonds8

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

7-(cyclopropylmethoxymethyl)-1-(cyclopropylmethyl)-5-ethylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine (PubChem CID 118743206) has the molecular formula C17H27N3O3S and a molecular weight of 353.49 g/mol. Its IUPAC name is 7-(cyclopropylmethoxymethyl)-1-(cyclopropylmethyl)-5-ethylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name7-(cyclopropylmethoxymethyl)-1-(cyclopropylmethyl)-5-ethylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
PubChem CID118743206
Molecular FormulaC17H27N3O3S
Molecular Weight353.49 g/mol
Exact Mass353.18
IUPAC Name7-(cyclopropylmethoxymethyl)-1-(cyclopropylmethyl)-5-ethylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESCCS(=O)(=O)N1Cc2ncn(CC3CC3)c2C(COCC2CC2)C1
InChIInChI=1S/C17H27N3O3S/c1-2-24(21,22)20-8-15(11-23-10-14-5-6-14)17-16(9-20)18-12-19(17)7-13-3-4-13/h12-15H,2-11H2,1H3
InChIKeyJAHJGAGIGDPWEL-UHFFFAOYSA-N
XLogP1.97
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(cyclopropylmethoxymethyl)-1-(cyclopropylmethyl)-5-ethylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The IUPAC name of 7-(cyclopropylmethoxymethyl)-1-(cyclopropylmethyl)-5-ethylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine (CID 118743206) is 7-(cyclopropylmethoxymethyl)-1-(cyclopropylmethyl)-5-ethylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 7-(cyclopropylmethoxymethyl)-1-(cyclopropylmethyl)-5-ethylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The canonical SMILES for 7-(cyclopropylmethoxymethyl)-1-(cyclopropylmethyl)-5-ethylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine is CCS(=O)(=O)N1Cc2ncn(CC3CC3)c2C(COCC2CC2)C1.
What is the InChIKey of 7-(cyclopropylmethoxymethyl)-1-(cyclopropylmethyl)-5-ethylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The InChIKey is JAHJGAGIGDPWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3S/c1-2-24(21,22)20-8-15(11-23-10-14-5-6-14)17-16(9-20)18-12-19(17)7-13-3-4-13/h12-15H,2-11H2,1H3.
What are the key properties of 7-(cyclopropylmethoxymethyl)-1-(cyclopropylmethyl)-5-ethylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
7-(cyclopropylmethoxymethyl)-1-(cyclopropylmethyl)-5-ethylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine has a molecular weight of 353.49 g/mol, XLogP of 1.97, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclopropylmethoxymethyl)-1-(cyclopropylmethyl)-5-ethylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 118743206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).