2-ethyl-7-methyl-1-(5-pyrimidin-2-ylsulfanylpentyl)imidazo[4,5-c]pyridine

C18H23N5S — CID 141082369

IUPAC2-ethyl-7-methyl-1-(5-pyrimidin-2-ylsulfanylpentyl)imidazo[4,5-c]pyridine
SMILESCCc1nc2cncc(C)c2n1CCCCCSc1ncccn1
InChIInChI=1S/C18H23N5S/c1-3-16-22-15-13-19-12-14(2)17(15)23(16)10-5-4-6-11-24-18-20-8-7-9-21-18/h7-9,12-13H,3-6,10-11H2,1-2H3
InChIKeyMYXVMQSEUYPUFP-UHFFFAOYSA-N
MW341.48 g/mol
LogP4.05
Rot. Bonds8

About 2-ethyl-7-methyl-1-(5-pyrimidin-2-ylsulfanylpentyl)imidazo[4,5-c]pyridine

2-ethyl-7-methyl-1-(5-pyrimidin-2-ylsulfanylpentyl)imidazo[4,5-c]pyridine (PubChem CID 141082369) has the molecular formula C18H23N5S and a molecular weight of 341.48 g/mol. Its IUPAC name is 2-ethyl-7-methyl-1-(5-pyrimidin-2-ylsulfanylpentyl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-ethyl-7-methyl-1-(5-pyrimidin-2-ylsulfanylpentyl)imidazo[4,5-c]pyridine
PubChem CID141082369
Molecular FormulaC18H23N5S
Molecular Weight341.48 g/mol
Exact Mass341.17
IUPAC Name2-ethyl-7-methyl-1-(5-pyrimidin-2-ylsulfanylpentyl)imidazo[4,5-c]pyridine
SMILESCCc1nc2cncc(C)c2n1CCCCCSc1ncccn1
InChIInChI=1S/C18H23N5S/c1-3-16-22-15-13-19-12-14(2)17(15)23(16)10-5-4-6-11-24-18-20-8-7-9-21-18/h7-9,12-13H,3-6,10-11H2,1-2H3
InChIKeyMYXVMQSEUYPUFP-UHFFFAOYSA-N
XLogP4.05
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-ethyl-7-methyl-1-(5-pyrimidin-2-ylsulfanylpentyl)imidazo[4,5-c]pyridine?
The IUPAC name of 2-ethyl-7-methyl-1-(5-pyrimidin-2-ylsulfanylpentyl)imidazo[4,5-c]pyridine (CID 141082369) is 2-ethyl-7-methyl-1-(5-pyrimidin-2-ylsulfanylpentyl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-ethyl-7-methyl-1-(5-pyrimidin-2-ylsulfanylpentyl)imidazo[4,5-c]pyridine?
The canonical SMILES for 2-ethyl-7-methyl-1-(5-pyrimidin-2-ylsulfanylpentyl)imidazo[4,5-c]pyridine is CCc1nc2cncc(C)c2n1CCCCCSc1ncccn1.
What is the InChIKey of 2-ethyl-7-methyl-1-(5-pyrimidin-2-ylsulfanylpentyl)imidazo[4,5-c]pyridine?
The InChIKey is MYXVMQSEUYPUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5S/c1-3-16-22-15-13-19-12-14(2)17(15)23(16)10-5-4-6-11-24-18-20-8-7-9-21-18/h7-9,12-13H,3-6,10-11H2,1-2H3.
What are the key properties of 2-ethyl-7-methyl-1-(5-pyrimidin-2-ylsulfanylpentyl)imidazo[4,5-c]pyridine?
2-ethyl-7-methyl-1-(5-pyrimidin-2-ylsulfanylpentyl)imidazo[4,5-c]pyridine has a molecular weight of 341.48 g/mol, XLogP of 4.05, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7-methyl-1-(5-pyrimidin-2-ylsulfanylpentyl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 141082369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).