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

C22H27N3O — CID 10291489

IUPAC7-methyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]imidazo[1,2-a]pyridine
SMILESCc1ccn2cc(-c3ccc(OCCCN4CCCCC4)cc3)nc2c1
InChIInChI=1S/C22H27N3O/c1-18-10-14-25-17-21(23-22(25)16-18)19-6-8-20(9-7-19)26-15-5-13-24-11-3-2-4-12-24/h6-10,14,16-17H,2-5,11-13,15H2,1H3
InChIKeyHHZLKORDNNRTRS-UHFFFAOYSA-N
MW349.48 g/mol
LogP4.56
Rot. Bonds6

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

7-methyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]imidazo[1,2-a]pyridine (PubChem CID 10291489) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is 7-methyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name7-methyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]imidazo[1,2-a]pyridine
PubChem CID10291489
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC Name7-methyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]imidazo[1,2-a]pyridine
SMILESCc1ccn2cc(-c3ccc(OCCCN4CCCCC4)cc3)nc2c1
InChIInChI=1S/C22H27N3O/c1-18-10-14-25-17-21(23-22(25)16-18)19-6-8-20(9-7-19)26-15-5-13-24-11-3-2-4-12-24/h6-10,14,16-17H,2-5,11-13,15H2,1H3
InChIKeyHHZLKORDNNRTRS-UHFFFAOYSA-N
XLogP4.56
TPSA29.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 54.56
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 7-methyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]imidazo[1,2-a]pyridine?
The IUPAC name of 7-methyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]imidazo[1,2-a]pyridine (CID 10291489) is 7-methyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 7-methyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 7-methyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]imidazo[1,2-a]pyridine is Cc1ccn2cc(-c3ccc(OCCCN4CCCCC4)cc3)nc2c1.
What is the InChIKey of 7-methyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]imidazo[1,2-a]pyridine?
The InChIKey is HHZLKORDNNRTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O/c1-18-10-14-25-17-21(23-22(25)16-18)19-6-8-20(9-7-19)26-15-5-13-24-11-3-2-4-12-24/h6-10,14,16-17H,2-5,11-13,15H2,1H3.
What are the key properties of 7-methyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]imidazo[1,2-a]pyridine?
7-methyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]imidazo[1,2-a]pyridine has a molecular weight of 349.48 g/mol, XLogP of 4.56, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 10291489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).