methyl 3-(2-cyclohexylethyl)imidazo[4,5-c]pyridine-6-carboxylate

C16H21N3O2 — CID 141469895

IUPACmethyl 3-(2-cyclohexylethyl)imidazo[4,5-c]pyridine-6-carboxylate
SMILESCOC(=O)c1cc2ncn(CCC3CCCCC3)c2cn1
InChIInChI=1S/C16H21N3O2/c1-21-16(20)14-9-13-15(10-17-14)19(11-18-13)8-7-12-5-3-2-4-6-12/h9-12H,2-8H2,1H3
InChIKeyTYGWRMPWDYZUQY-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.19
Rot. Bonds4

About methyl 3-(2-cyclohexylethyl)imidazo[4,5-c]pyridine-6-carboxylate

methyl 3-(2-cyclohexylethyl)imidazo[4,5-c]pyridine-6-carboxylate (PubChem CID 141469895) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is methyl 3-(2-cyclohexylethyl)imidazo[4,5-c]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-(2-cyclohexylethyl)imidazo[4,5-c]pyridine-6-carboxylate
PubChem CID141469895
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Namemethyl 3-(2-cyclohexylethyl)imidazo[4,5-c]pyridine-6-carboxylate
SMILESCOC(=O)c1cc2ncn(CCC3CCCCC3)c2cn1
InChIInChI=1S/C16H21N3O2/c1-21-16(20)14-9-13-15(10-17-14)19(11-18-13)8-7-12-5-3-2-4-6-12/h9-12H,2-8H2,1H3
InChIKeyTYGWRMPWDYZUQY-UHFFFAOYSA-N
XLogP3.19
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-cyclohexylethyl)imidazo[4,5-c]pyridine-6-carboxylate?
The IUPAC name of methyl 3-(2-cyclohexylethyl)imidazo[4,5-c]pyridine-6-carboxylate (CID 141469895) is methyl 3-(2-cyclohexylethyl)imidazo[4,5-c]pyridine-6-carboxylate.
What is the SMILES notation for methyl 3-(2-cyclohexylethyl)imidazo[4,5-c]pyridine-6-carboxylate?
The canonical SMILES for methyl 3-(2-cyclohexylethyl)imidazo[4,5-c]pyridine-6-carboxylate is COC(=O)c1cc2ncn(CCC3CCCCC3)c2cn1.
What is the InChIKey of methyl 3-(2-cyclohexylethyl)imidazo[4,5-c]pyridine-6-carboxylate?
The InChIKey is TYGWRMPWDYZUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-21-16(20)14-9-13-15(10-17-14)19(11-18-13)8-7-12-5-3-2-4-6-12/h9-12H,2-8H2,1H3.
What are the key properties of methyl 3-(2-cyclohexylethyl)imidazo[4,5-c]pyridine-6-carboxylate?
methyl 3-(2-cyclohexylethyl)imidazo[4,5-c]pyridine-6-carboxylate has a molecular weight of 287.36 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-cyclohexylethyl)imidazo[4,5-c]pyridine-6-carboxylate is sourced from PubChem (CID 141469895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).