1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-5-(2-methoxyethylsulfonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine

C18H31N3O3S — CID 45269488

IUPAC1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-5-(2-methoxyethylsulfonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESCOCCS(=O)(=O)N1CCc2c(nc(CC(C)(C)C)n2CC2CC2)C1
InChIInChI=1S/C18H31N3O3S/c1-18(2,3)11-17-19-15-13-20(25(22,23)10-9-24-4)8-7-16(15)21(17)12-14-5-6-14/h14H,5-13H2,1-4H3
InChIKeyWHFDUZQMHSPVLQ-UHFFFAOYSA-N
MW369.53 g/mol
LogP2.22
Rot. Bonds7

About 1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-5-(2-methoxyethylsulfonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine

1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-5-(2-methoxyethylsulfonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine (PubChem CID 45269488) has the molecular formula C18H31N3O3S and a molecular weight of 369.53 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-5-(2-methoxyethylsulfonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-5-(2-methoxyethylsulfonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
PubChem CID45269488
Molecular FormulaC18H31N3O3S
Molecular Weight369.53 g/mol
Exact Mass369.21
IUPAC Name1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-5-(2-methoxyethylsulfonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESCOCCS(=O)(=O)N1CCc2c(nc(CC(C)(C)C)n2CC2CC2)C1
InChIInChI=1S/C18H31N3O3S/c1-18(2,3)11-17-19-15-13-20(25(22,23)10-9-24-4)8-7-16(15)21(17)12-14-5-6-14/h14H,5-13H2,1-4H3
InChIKeyWHFDUZQMHSPVLQ-UHFFFAOYSA-N
XLogP2.22
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.53
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-5-(2-methoxyethylsulfonyl)-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

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-5-(2-methoxyethylsulfonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The IUPAC name of 1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-5-(2-methoxyethylsulfonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine (CID 45269488) is 1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-5-(2-methoxyethylsulfonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-5-(2-methoxyethylsulfonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The canonical SMILES for 1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-5-(2-methoxyethylsulfonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine is COCCS(=O)(=O)N1CCc2c(nc(CC(C)(C)C)n2CC2CC2)C1.
What is the InChIKey of 1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-5-(2-methoxyethylsulfonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The InChIKey is WHFDUZQMHSPVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O3S/c1-18(2,3)11-17-19-15-13-20(25(22,23)10-9-24-4)8-7-16(15)21(17)12-14-5-6-14/h14H,5-13H2,1-4H3.
What are the key properties of 1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-5-(2-methoxyethylsulfonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-5-(2-methoxyethylsulfonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine has a molecular weight of 369.53 g/mol, XLogP of 2.22, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-5-(2-methoxyethylsulfonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 45269488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).