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

C23H29N3O2 — CID 22015611

IUPAC2-[3-methoxy-4-(3-piperidin-1-ylpropoxy)phenyl]-7-methylimidazo[1,2-a]pyridine
SMILESCOc1cc(-c2cn3ccc(C)cc3n2)ccc1OCCCN1CCCCC1
InChIInChI=1S/C23H29N3O2/c1-18-9-13-26-17-20(24-23(26)15-18)19-7-8-21(22(16-19)27-2)28-14-6-12-25-10-4-3-5-11-25/h7-9,13,15-17H,3-6,10-12,14H2,1-2H3
InChIKeyREWDBVXCRPYGDE-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.57
Rot. Bonds7

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

2-[3-methoxy-4-(3-piperidin-1-ylpropoxy)phenyl]-7-methylimidazo[1,2-a]pyridine (PubChem CID 22015611) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 2-[3-methoxy-4-(3-piperidin-1-ylpropoxy)phenyl]-7-methylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-[3-methoxy-4-(3-piperidin-1-ylpropoxy)phenyl]-7-methylimidazo[1,2-a]pyridine
PubChem CID22015611
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name2-[3-methoxy-4-(3-piperidin-1-ylpropoxy)phenyl]-7-methylimidazo[1,2-a]pyridine
SMILESCOc1cc(-c2cn3ccc(C)cc3n2)ccc1OCCCN1CCCCC1
InChIInChI=1S/C23H29N3O2/c1-18-9-13-26-17-20(24-23(26)15-18)19-7-8-21(22(16-19)27-2)28-14-6-12-25-10-4-3-5-11-25/h7-9,13,15-17H,3-6,10-12,14H2,1-2H3
InChIKeyREWDBVXCRPYGDE-UHFFFAOYSA-N
XLogP4.57
TPSA39.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[3-methoxy-4-(3-piperidin-1-ylpropoxy)phenyl]-7-methylimidazo[1,2-a]pyridine?
The IUPAC name of 2-[3-methoxy-4-(3-piperidin-1-ylpropoxy)phenyl]-7-methylimidazo[1,2-a]pyridine (CID 22015611) is 2-[3-methoxy-4-(3-piperidin-1-ylpropoxy)phenyl]-7-methylimidazo[1,2-a]pyridine.
What is the SMILES notation for 2-[3-methoxy-4-(3-piperidin-1-ylpropoxy)phenyl]-7-methylimidazo[1,2-a]pyridine?
The canonical SMILES for 2-[3-methoxy-4-(3-piperidin-1-ylpropoxy)phenyl]-7-methylimidazo[1,2-a]pyridine is COc1cc(-c2cn3ccc(C)cc3n2)ccc1OCCCN1CCCCC1.
What is the InChIKey of 2-[3-methoxy-4-(3-piperidin-1-ylpropoxy)phenyl]-7-methylimidazo[1,2-a]pyridine?
The InChIKey is REWDBVXCRPYGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-18-9-13-26-17-20(24-23(26)15-18)19-7-8-21(22(16-19)27-2)28-14-6-12-25-10-4-3-5-11-25/h7-9,13,15-17H,3-6,10-12,14H2,1-2H3.
What are the key properties of 2-[3-methoxy-4-(3-piperidin-1-ylpropoxy)phenyl]-7-methylimidazo[1,2-a]pyridine?
2-[3-methoxy-4-(3-piperidin-1-ylpropoxy)phenyl]-7-methylimidazo[1,2-a]pyridine has a molecular weight of 379.50 g/mol, XLogP of 4.57, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methoxy-4-(3-piperidin-1-ylpropoxy)phenyl]-7-methylimidazo[1,2-a]pyridine is sourced from PubChem (CID 22015611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).