1-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine

C18H28N6O — CID 111600516

IUPAC1-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine
SMILESCc1cccn2cc(CCN/C(N)=N/CCCN3CCOCC3)nc12
InChIInChI=1S/C18H28N6O/c1-15-4-2-9-24-14-16(22-17(15)24)5-7-21-18(19)20-6-3-8-23-10-12-25-13-11-23/h2,4,9,14H,3,5-8,10-13H2,1H3,(H3,19,20,21)
InChIKeyNQPCDKIGCWHDHO-UHFFFAOYSA-N
MW344.46 g/mol
LogP0.81
Rot. Bonds7

About 1-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine

1-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine (PubChem CID 111600516) has the molecular formula C18H28N6O and a molecular weight of 344.46 g/mol. Its IUPAC name is 1-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine.

Molecular Properties

Compound Name1-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine
PubChem CID111600516
Molecular FormulaC18H28N6O
Molecular Weight344.46 g/mol
Exact Mass344.23
IUPAC Name1-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine
SMILESCc1cccn2cc(CCN/C(N)=N/CCCN3CCOCC3)nc12
InChIInChI=1S/C18H28N6O/c1-15-4-2-9-24-14-16(22-17(15)24)5-7-21-18(19)20-6-3-8-23-10-12-25-13-11-23/h2,4,9,14H,3,5-8,10-13H2,1H3,(H3,19,20,21)
InChIKeyNQPCDKIGCWHDHO-UHFFFAOYSA-N
XLogP0.81
TPSA80.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(4-morpholin-4-ylbutyl)-1-(2-pyridin-2-ylethyl)guanidine
CID 111059887
2-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-1-propan-2-ylguanidine
CID 111600500
1-[2-(4-methylpyrazol-1-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine
CID 111806210
2-(3-morpholin-4-ylpropyl)-1-(2-naphthalen-2-ylethyl)guanidine
CID 111069794
1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine
CID 111806660
1-[2-(4-methylphenyl)sulfanylethyl]-2-(3-morpholin-4-ylpropyl)guanidine
CID 111033334
1-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-methyl-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide
CID 111837859
2-(3-ethoxypropyl)-1-ethyl-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide
CID 111836404
2-(3-morpholin-4-ylpropyl)-1-[2-[4-(trifluoromethyl)phenyl]ethyl]guanidine
CID 111027382
1-[2-(4-methoxyphenoxy)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine
CID 111036224
1-[4-(N-methylanilino)butyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111078602
2-[3-(4-hydroxyphenyl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine
CID 111816056

Frequently Asked Questions

What is the IUPAC name of 1-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine?
The IUPAC name of 1-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine (CID 111600516) is 1-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine.
What is the SMILES notation for 1-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine?
The canonical SMILES for 1-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine is Cc1cccn2cc(CCN/C(N)=N/CCCN3CCOCC3)nc12.
What is the InChIKey of 1-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine?
The InChIKey is NQPCDKIGCWHDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6O/c1-15-4-2-9-24-14-16(22-17(15)24)5-7-21-18(19)20-6-3-8-23-10-12-25-13-11-23/h2,4,9,14H,3,5-8,10-13H2,1H3,(H3,19,20,21).
What are the key properties of 1-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine?
1-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine has a molecular weight of 344.46 g/mol, XLogP of 0.81, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine is sourced from PubChem (CID 111600516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).