7-chloro-2-cyclohexyloxy-6-cyclopropyloxy-1,4-dimethylimidazo[4,5-c]pyridine

C17H22ClN3O2 — CID 154947111

IUPAC7-chloro-2-cyclohexyloxy-6-cyclopropyloxy-1,4-dimethylimidazo[4,5-c]pyridine
SMILESCc1nc(OC2CC2)c(Cl)c2c1nc(OC1CCCCC1)n2C
InChIInChI=1S/C17H22ClN3O2/c1-10-14-15(13(18)16(19-10)22-12-8-9-12)21(2)17(20-14)23-11-6-4-3-5-7-11/h11-12H,3-9H2,1-2H3
InChIKeyJNUCFKHVQGUDGK-UHFFFAOYSA-N
MW335.84 g/mol
LogP4.18
Rot. Bonds4

About 7-chloro-2-cyclohexyloxy-6-cyclopropyloxy-1,4-dimethylimidazo[4,5-c]pyridine

7-chloro-2-cyclohexyloxy-6-cyclopropyloxy-1,4-dimethylimidazo[4,5-c]pyridine (PubChem CID 154947111) has the molecular formula C17H22ClN3O2 and a molecular weight of 335.84 g/mol. Its IUPAC name is 7-chloro-2-cyclohexyloxy-6-cyclopropyloxy-1,4-dimethylimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name7-chloro-2-cyclohexyloxy-6-cyclopropyloxy-1,4-dimethylimidazo[4,5-c]pyridine
PubChem CID154947111
Molecular FormulaC17H22ClN3O2
Molecular Weight335.84 g/mol
Exact Mass335.14
IUPAC Name7-chloro-2-cyclohexyloxy-6-cyclopropyloxy-1,4-dimethylimidazo[4,5-c]pyridine
SMILESCc1nc(OC2CC2)c(Cl)c2c1nc(OC1CCCCC1)n2C
InChIInChI=1S/C17H22ClN3O2/c1-10-14-15(13(18)16(19-10)22-12-8-9-12)21(2)17(20-14)23-11-6-4-3-5-7-11/h11-12H,3-9H2,1-2H3
InChIKeyJNUCFKHVQGUDGK-UHFFFAOYSA-N
XLogP4.18
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.84
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-cyclohexyloxy-6-cyclopropyloxy-1,4-dimethylimidazo[4,5-c]pyridine?
The IUPAC name of 7-chloro-2-cyclohexyloxy-6-cyclopropyloxy-1,4-dimethylimidazo[4,5-c]pyridine (CID 154947111) is 7-chloro-2-cyclohexyloxy-6-cyclopropyloxy-1,4-dimethylimidazo[4,5-c]pyridine.
What is the SMILES notation for 7-chloro-2-cyclohexyloxy-6-cyclopropyloxy-1,4-dimethylimidazo[4,5-c]pyridine?
The canonical SMILES for 7-chloro-2-cyclohexyloxy-6-cyclopropyloxy-1,4-dimethylimidazo[4,5-c]pyridine is Cc1nc(OC2CC2)c(Cl)c2c1nc(OC1CCCCC1)n2C.
What is the InChIKey of 7-chloro-2-cyclohexyloxy-6-cyclopropyloxy-1,4-dimethylimidazo[4,5-c]pyridine?
The InChIKey is JNUCFKHVQGUDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O2/c1-10-14-15(13(18)16(19-10)22-12-8-9-12)21(2)17(20-14)23-11-6-4-3-5-7-11/h11-12H,3-9H2,1-2H3.
What are the key properties of 7-chloro-2-cyclohexyloxy-6-cyclopropyloxy-1,4-dimethylimidazo[4,5-c]pyridine?
7-chloro-2-cyclohexyloxy-6-cyclopropyloxy-1,4-dimethylimidazo[4,5-c]pyridine has a molecular weight of 335.84 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-cyclohexyloxy-6-cyclopropyloxy-1,4-dimethylimidazo[4,5-c]pyridine is sourced from PubChem (CID 154947111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).