2-[4-[3-(azepan-1-yl)propoxy]-2-methylphenyl]-7-methylimidazo[1,2-a]pyridine

C24H31N3O — CID 22390950

IUPAC2-[4-[3-(azepan-1-yl)propoxy]-2-methylphenyl]-7-methylimidazo[1,2-a]pyridine
SMILESCc1ccn2cc(-c3ccc(OCCCN4CCCCCC4)cc3C)nc2c1
InChIInChI=1S/C24H31N3O/c1-19-10-14-27-18-23(25-24(27)16-19)22-9-8-21(17-20(22)2)28-15-7-13-26-11-5-3-4-6-12-26/h8-10,14,16-18H,3-7,11-13,15H2,1-2H3
InChIKeyCSIAFDCOESGVDZ-UHFFFAOYSA-N
MW377.53 g/mol
LogP5.26
Rot. Bonds6

About 2-[4-[3-(azepan-1-yl)propoxy]-2-methylphenyl]-7-methylimidazo[1,2-a]pyridine

2-[4-[3-(azepan-1-yl)propoxy]-2-methylphenyl]-7-methylimidazo[1,2-a]pyridine (PubChem CID 22390950) has the molecular formula C24H31N3O and a molecular weight of 377.53 g/mol. Its IUPAC name is 2-[4-[3-(azepan-1-yl)propoxy]-2-methylphenyl]-7-methylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-[4-[3-(azepan-1-yl)propoxy]-2-methylphenyl]-7-methylimidazo[1,2-a]pyridine
PubChem CID22390950
Molecular FormulaC24H31N3O
Molecular Weight377.53 g/mol
Exact Mass377.25
IUPAC Name2-[4-[3-(azepan-1-yl)propoxy]-2-methylphenyl]-7-methylimidazo[1,2-a]pyridine
SMILESCc1ccn2cc(-c3ccc(OCCCN4CCCCCC4)cc3C)nc2c1
InChIInChI=1S/C24H31N3O/c1-19-10-14-27-18-23(25-24(27)16-19)22-9-8-21(17-20(22)2)28-15-7-13-26-11-5-3-4-6-12-26/h8-10,14,16-18H,3-7,11-13,15H2,1-2H3
InChIKeyCSIAFDCOESGVDZ-UHFFFAOYSA-N
XLogP5.26
TPSA29.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.53
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(azepan-1-yl)propoxy]-2-methylphenyl]-7-methylimidazo[1,2-a]pyridine?
The IUPAC name of 2-[4-[3-(azepan-1-yl)propoxy]-2-methylphenyl]-7-methylimidazo[1,2-a]pyridine (CID 22390950) is 2-[4-[3-(azepan-1-yl)propoxy]-2-methylphenyl]-7-methylimidazo[1,2-a]pyridine.
What is the SMILES notation for 2-[4-[3-(azepan-1-yl)propoxy]-2-methylphenyl]-7-methylimidazo[1,2-a]pyridine?
The canonical SMILES for 2-[4-[3-(azepan-1-yl)propoxy]-2-methylphenyl]-7-methylimidazo[1,2-a]pyridine is Cc1ccn2cc(-c3ccc(OCCCN4CCCCCC4)cc3C)nc2c1.
What is the InChIKey of 2-[4-[3-(azepan-1-yl)propoxy]-2-methylphenyl]-7-methylimidazo[1,2-a]pyridine?
The InChIKey is CSIAFDCOESGVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O/c1-19-10-14-27-18-23(25-24(27)16-19)22-9-8-21(17-20(22)2)28-15-7-13-26-11-5-3-4-6-12-26/h8-10,14,16-18H,3-7,11-13,15H2,1-2H3.
What are the key properties of 2-[4-[3-(azepan-1-yl)propoxy]-2-methylphenyl]-7-methylimidazo[1,2-a]pyridine?
2-[4-[3-(azepan-1-yl)propoxy]-2-methylphenyl]-7-methylimidazo[1,2-a]pyridine has a molecular weight of 377.53 g/mol, XLogP of 5.26, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(azepan-1-yl)propoxy]-2-methylphenyl]-7-methylimidazo[1,2-a]pyridine is sourced from PubChem (CID 22390950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).