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

C21H26N4O — CID 10360549

IUPAC7-methyl-2-[4-(3-piperazin-1-ylpropoxy)phenyl]imidazo[1,2-a]pyridine
SMILESCc1ccn2cc(-c3ccc(OCCCN4CCNCC4)cc3)nc2c1
InChIInChI=1S/C21H26N4O/c1-17-7-11-25-16-20(23-21(25)15-17)18-3-5-19(6-4-18)26-14-2-10-24-12-8-22-9-13-24/h3-7,11,15-16,22H,2,8-10,12-14H2,1H3
InChIKeyYFXGBZUEGAWESW-UHFFFAOYSA-N
MW350.47 g/mol
LogP2.98
Rot. Bonds6

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

7-methyl-2-[4-(3-piperazin-1-ylpropoxy)phenyl]imidazo[1,2-a]pyridine (PubChem CID 10360549) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is 7-methyl-2-[4-(3-piperazin-1-ylpropoxy)phenyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name7-methyl-2-[4-(3-piperazin-1-ylpropoxy)phenyl]imidazo[1,2-a]pyridine
PubChem CID10360549
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name7-methyl-2-[4-(3-piperazin-1-ylpropoxy)phenyl]imidazo[1,2-a]pyridine
SMILESCc1ccn2cc(-c3ccc(OCCCN4CCNCC4)cc3)nc2c1
InChIInChI=1S/C21H26N4O/c1-17-7-11-25-16-20(23-21(25)15-17)18-3-5-19(6-4-18)26-14-2-10-24-12-8-22-9-13-24/h3-7,11,15-16,22H,2,8-10,12-14H2,1H3
InChIKeyYFXGBZUEGAWESW-UHFFFAOYSA-N
XLogP2.98
TPSA41.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-butoxyphenyl)-7-methylimidazo[1,2-a]pyridine
CID 19210007
2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-7-methylimidazo[1,2-a]pyridine
CID 57163774
7-(azetidin-1-yl)-2-[4-(3-fluoropropoxy)phenyl]imidazo[1,2-a]pyridine
CID 86280945
2-(4-tert-butylphenyl)-7-methylimidazo[1,2-a]pyridine
CID 4837144
1-(3-phenoxypropyl)piperazine
CID 2760351
1-[2-(4-methylphenoxy)ethyl]-1,4-diazepane
CID 43162601
7-methyl-2-naphthalen-2-ylimidazo[1,2-a]pyridine
CID 868213
2-methyl-6-(3-piperazin-1-ylpropoxy)-1,3-benzoxazole
CID 154630496
1-[3-(3,4-dimethylphenoxy)propyl]-1,4-diazepane
CID 43162422
2-(4-ethoxyphenyl)imidazo[1,2-a]pyridine-7-carboxylic acid
CID 9146654
1-[3-(3-methyl-4-nitrophenoxy)propyl]piperazine
CID 2195581
5-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]-1H-pyridazin-6-one
CID 59651971

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-[4-(3-piperazin-1-ylpropoxy)phenyl]imidazo[1,2-a]pyridine?
The IUPAC name of 7-methyl-2-[4-(3-piperazin-1-ylpropoxy)phenyl]imidazo[1,2-a]pyridine (CID 10360549) is 7-methyl-2-[4-(3-piperazin-1-ylpropoxy)phenyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 7-methyl-2-[4-(3-piperazin-1-ylpropoxy)phenyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 7-methyl-2-[4-(3-piperazin-1-ylpropoxy)phenyl]imidazo[1,2-a]pyridine is Cc1ccn2cc(-c3ccc(OCCCN4CCNCC4)cc3)nc2c1.
What is the InChIKey of 7-methyl-2-[4-(3-piperazin-1-ylpropoxy)phenyl]imidazo[1,2-a]pyridine?
The InChIKey is YFXGBZUEGAWESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c1-17-7-11-25-16-20(23-21(25)15-17)18-3-5-19(6-4-18)26-14-2-10-24-12-8-22-9-13-24/h3-7,11,15-16,22H,2,8-10,12-14H2,1H3.
What are the key properties of 7-methyl-2-[4-(3-piperazin-1-ylpropoxy)phenyl]imidazo[1,2-a]pyridine?
7-methyl-2-[4-(3-piperazin-1-ylpropoxy)phenyl]imidazo[1,2-a]pyridine has a molecular weight of 350.47 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-[4-(3-piperazin-1-ylpropoxy)phenyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 10360549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).