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

C22H27N3O — CID 20803171

IUPAC2-[3-methyl-4-(3-piperidin-1-ylpropoxy)phenyl]imidazo[1,2-a]pyridine
SMILESCc1cc(-c2cn3ccccc3n2)ccc1OCCCN1CCCCC1
InChIInChI=1S/C22H27N3O/c1-18-16-19(20-17-25-14-6-3-8-22(25)23-20)9-10-21(18)26-15-7-13-24-11-4-2-5-12-24/h3,6,8-10,14,16-17H,2,4-5,7,11-13,15H2,1H3
InChIKeyTUILNKPRPMCZAO-UHFFFAOYSA-N
MW349.48 g/mol
LogP4.56
Rot. Bonds6

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

2-[3-methyl-4-(3-piperidin-1-ylpropoxy)phenyl]imidazo[1,2-a]pyridine (PubChem CID 20803171) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is 2-[3-methyl-4-(3-piperidin-1-ylpropoxy)phenyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-[3-methyl-4-(3-piperidin-1-ylpropoxy)phenyl]imidazo[1,2-a]pyridine
PubChem CID20803171
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC Name2-[3-methyl-4-(3-piperidin-1-ylpropoxy)phenyl]imidazo[1,2-a]pyridine
SMILESCc1cc(-c2cn3ccccc3n2)ccc1OCCCN1CCCCC1
InChIInChI=1S/C22H27N3O/c1-18-16-19(20-17-25-14-6-3-8-22(25)23-20)9-10-21(18)26-15-7-13-24-11-4-2-5-12-24/h3,6,8-10,14,16-17H,2,4-5,7,11-13,15H2,1H3
InChIKeyTUILNKPRPMCZAO-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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Related Compounds

Sch 28080
CID 108137
7-Methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 146659124
7-butyl-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 3641059
Methyl substituted pyrazole, 27
CID 23648674
4-[2-Methyl-3-(2-phenoxyethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
CID 135335939
2-(4-Methoxyphenyl)imidazo[1,2-a]pyridine
CID 694963
2-(4-Ethoxyphenyl)imidazo[1,2-a]pyridine
CID 720519
2-(4-Propoxyphenyl)imidazo[1,2-a]pyridine
CID 2876085
3-(6-Methoxypyridin-2-yl)-7-phenylimidazo[1,2-a]pyridine
CID 5329342
1-[2-(4-{3-phenyl-3H-imidazo[4,5-b]pyridin-6-yl}phenoxy)ethyl]piperidine
CID 5329413
6-(4-methoxyphenyl)-7-methyl-5H-pyrrolo[2,3-b]pyrazine
CID 6538782
6-(4-methoxyphenyl)-7-propyl-5H-pyrrolo[2,3-b]pyrazine
CID 6538784

Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-4-(3-piperidin-1-ylpropoxy)phenyl]imidazo[1,2-a]pyridine?
The IUPAC name of 2-[3-methyl-4-(3-piperidin-1-ylpropoxy)phenyl]imidazo[1,2-a]pyridine (CID 20803171) is 2-[3-methyl-4-(3-piperidin-1-ylpropoxy)phenyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-[3-methyl-4-(3-piperidin-1-ylpropoxy)phenyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 2-[3-methyl-4-(3-piperidin-1-ylpropoxy)phenyl]imidazo[1,2-a]pyridine is Cc1cc(-c2cn3ccccc3n2)ccc1OCCCN1CCCCC1.
What is the InChIKey of 2-[3-methyl-4-(3-piperidin-1-ylpropoxy)phenyl]imidazo[1,2-a]pyridine?
The InChIKey is TUILNKPRPMCZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O/c1-18-16-19(20-17-25-14-6-3-8-22(25)23-20)9-10-21(18)26-15-7-13-24-11-4-2-5-12-24/h3,6,8-10,14,16-17H,2,4-5,7,11-13,15H2,1H3.
What are the key properties of 2-[3-methyl-4-(3-piperidin-1-ylpropoxy)phenyl]imidazo[1,2-a]pyridine?
2-[3-methyl-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 2-[3-methyl-4-(3-piperidin-1-ylpropoxy)phenyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 20803171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).