2-cyclohexyloxy-6-[(3E)-hexa-1,3,5-trien-3-yl]oxy-1-methylimidazo[4,5-c]pyridine

C19H23N3O2 — CID 144830280

IUPAC2-cyclohexyloxy-6-[(3E)-hexa-1,3,5-trien-3-yl]oxy-1-methylimidazo[4,5-c]pyridine
SMILESC=C/C=C(\C=C)Oc1cc2c(cn1)nc(OC1CCCCC1)n2C
InChIInChI=1S/C19H23N3O2/c1-4-9-14(5-2)23-18-12-17-16(13-20-18)21-19(22(17)3)24-15-10-7-6-8-11-15/h4-5,9,12-13,15H,1-2,6-8,10-11H2,3H3/b14-9+
InChIKeyHNDVQHAYPJXRQV-NTEUORMPSA-N
MW325.41 g/mol
LogP4.31
Rot. Bonds6

About 2-cyclohexyloxy-6-[(3E)-hexa-1,3,5-trien-3-yl]oxy-1-methylimidazo[4,5-c]pyridine

2-cyclohexyloxy-6-[(3E)-hexa-1,3,5-trien-3-yl]oxy-1-methylimidazo[4,5-c]pyridine (PubChem CID 144830280) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-cyclohexyloxy-6-[(3E)-hexa-1,3,5-trien-3-yl]oxy-1-methylimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-cyclohexyloxy-6-[(3E)-hexa-1,3,5-trien-3-yl]oxy-1-methylimidazo[4,5-c]pyridine
PubChem CID144830280
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name2-cyclohexyloxy-6-[(3E)-hexa-1,3,5-trien-3-yl]oxy-1-methylimidazo[4,5-c]pyridine
SMILESC=C/C=C(\C=C)Oc1cc2c(cn1)nc(OC1CCCCC1)n2C
InChIInChI=1S/C19H23N3O2/c1-4-9-14(5-2)23-18-12-17-16(13-20-18)21-19(22(17)3)24-15-10-7-6-8-11-15/h4-5,9,12-13,15H,1-2,6-8,10-11H2,3H3/b14-9+
InChIKeyHNDVQHAYPJXRQV-NTEUORMPSA-N
XLogP4.31
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyloxy-6-[(3E)-hexa-1,3,5-trien-3-yl]oxy-1-methylimidazo[4,5-c]pyridine?
The IUPAC name of 2-cyclohexyloxy-6-[(3E)-hexa-1,3,5-trien-3-yl]oxy-1-methylimidazo[4,5-c]pyridine (CID 144830280) is 2-cyclohexyloxy-6-[(3E)-hexa-1,3,5-trien-3-yl]oxy-1-methylimidazo[4,5-c]pyridine.
What is the SMILES notation for 2-cyclohexyloxy-6-[(3E)-hexa-1,3,5-trien-3-yl]oxy-1-methylimidazo[4,5-c]pyridine?
The canonical SMILES for 2-cyclohexyloxy-6-[(3E)-hexa-1,3,5-trien-3-yl]oxy-1-methylimidazo[4,5-c]pyridine is C=C/C=C(\C=C)Oc1cc2c(cn1)nc(OC1CCCCC1)n2C.
What is the InChIKey of 2-cyclohexyloxy-6-[(3E)-hexa-1,3,5-trien-3-yl]oxy-1-methylimidazo[4,5-c]pyridine?
The InChIKey is HNDVQHAYPJXRQV-NTEUORMPSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-4-9-14(5-2)23-18-12-17-16(13-20-18)21-19(22(17)3)24-15-10-7-6-8-11-15/h4-5,9,12-13,15H,1-2,6-8,10-11H2,3H3/b14-9+.
What are the key properties of 2-cyclohexyloxy-6-[(3E)-hexa-1,3,5-trien-3-yl]oxy-1-methylimidazo[4,5-c]pyridine?
2-cyclohexyloxy-6-[(3E)-hexa-1,3,5-trien-3-yl]oxy-1-methylimidazo[4,5-c]pyridine has a molecular weight of 325.41 g/mol, XLogP of 4.31, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyloxy-6-[(3E)-hexa-1,3,5-trien-3-yl]oxy-1-methylimidazo[4,5-c]pyridine is sourced from PubChem (CID 144830280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).