2-[2-fluoro-4-(3-piperidin-1-ylpropoxy)phenyl]-7-methylimidazo[1,2-a]pyridine

C22H26FN3O — CID 22015641

IUPAC2-[2-fluoro-4-(3-piperidin-1-ylpropoxy)phenyl]-7-methylimidazo[1,2-a]pyridine
SMILESCc1ccn2cc(-c3ccc(OCCCN4CCCCC4)cc3F)nc2c1
InChIInChI=1S/C22H26FN3O/c1-17-8-12-26-16-21(24-22(26)14-17)19-7-6-18(15-20(19)23)27-13-5-11-25-9-3-2-4-10-25/h6-8,12,14-16H,2-5,9-11,13H2,1H3
InChIKeyZEEQYTIKUFHZFH-UHFFFAOYSA-N
MW367.47 g/mol
LogP4.70
Rot. Bonds6

About 2-[2-fluoro-4-(3-piperidin-1-ylpropoxy)phenyl]-7-methylimidazo[1,2-a]pyridine

2-[2-fluoro-4-(3-piperidin-1-ylpropoxy)phenyl]-7-methylimidazo[1,2-a]pyridine (PubChem CID 22015641) has the molecular formula C22H26FN3O and a molecular weight of 367.47 g/mol. Its IUPAC name is 2-[2-fluoro-4-(3-piperidin-1-ylpropoxy)phenyl]-7-methylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-[2-fluoro-4-(3-piperidin-1-ylpropoxy)phenyl]-7-methylimidazo[1,2-a]pyridine
PubChem CID22015641
Molecular FormulaC22H26FN3O
Molecular Weight367.47 g/mol
Exact Mass367.21
IUPAC Name2-[2-fluoro-4-(3-piperidin-1-ylpropoxy)phenyl]-7-methylimidazo[1,2-a]pyridine
SMILESCc1ccn2cc(-c3ccc(OCCCN4CCCCC4)cc3F)nc2c1
InChIInChI=1S/C22H26FN3O/c1-17-8-12-26-16-21(24-22(26)14-17)19-7-6-18(15-20(19)23)27-13-5-11-25-9-3-2-4-10-25/h6-8,12,14-16H,2-5,9-11,13H2,1H3
InChIKeyZEEQYTIKUFHZFH-UHFFFAOYSA-N
XLogP4.70
TPSA29.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 54.70
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-[2-fluoro-4-(3-piperidin-1-ylpropoxy)phenyl]-7-methylimidazo[1,2-a]pyridine?
The IUPAC name of 2-[2-fluoro-4-(3-piperidin-1-ylpropoxy)phenyl]-7-methylimidazo[1,2-a]pyridine (CID 22015641) is 2-[2-fluoro-4-(3-piperidin-1-ylpropoxy)phenyl]-7-methylimidazo[1,2-a]pyridine.
What is the SMILES notation for 2-[2-fluoro-4-(3-piperidin-1-ylpropoxy)phenyl]-7-methylimidazo[1,2-a]pyridine?
The canonical SMILES for 2-[2-fluoro-4-(3-piperidin-1-ylpropoxy)phenyl]-7-methylimidazo[1,2-a]pyridine is Cc1ccn2cc(-c3ccc(OCCCN4CCCCC4)cc3F)nc2c1.
What is the InChIKey of 2-[2-fluoro-4-(3-piperidin-1-ylpropoxy)phenyl]-7-methylimidazo[1,2-a]pyridine?
The InChIKey is ZEEQYTIKUFHZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O/c1-17-8-12-26-16-21(24-22(26)14-17)19-7-6-18(15-20(19)23)27-13-5-11-25-9-3-2-4-10-25/h6-8,12,14-16H,2-5,9-11,13H2,1H3.
What are the key properties of 2-[2-fluoro-4-(3-piperidin-1-ylpropoxy)phenyl]-7-methylimidazo[1,2-a]pyridine?
2-[2-fluoro-4-(3-piperidin-1-ylpropoxy)phenyl]-7-methylimidazo[1,2-a]pyridine has a molecular weight of 367.47 g/mol, XLogP of 4.70, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-4-(3-piperidin-1-ylpropoxy)phenyl]-7-methylimidazo[1,2-a]pyridine is sourced from PubChem (CID 22015641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).