2-(1-chloroethyl)-3-[(5-methylpyrazin-2-yl)methyl]imidazo[4,5-b]pyridine

C14H14ClN5 — CID 79294675

IUPAC2-(1-chloroethyl)-3-[(5-methylpyrazin-2-yl)methyl]imidazo[4,5-b]pyridine
SMILESCc1cnc(Cn2c(C(C)Cl)nc3cccnc32)cn1
InChIInChI=1S/C14H14ClN5/c1-9-6-18-11(7-17-9)8-20-13(10(2)15)19-12-4-3-5-16-14(12)20/h3-7,10H,8H2,1-2H3
InChIKeyYPXKGNSSRDXSIK-UHFFFAOYSA-N
MW287.75 g/mol
LogP2.88
Rot. Bonds3

About 2-(1-chloroethyl)-3-[(5-methylpyrazin-2-yl)methyl]imidazo[4,5-b]pyridine

2-(1-chloroethyl)-3-[(5-methylpyrazin-2-yl)methyl]imidazo[4,5-b]pyridine (PubChem CID 79294675) has the molecular formula C14H14ClN5 and a molecular weight of 287.75 g/mol. Its IUPAC name is 2-(1-chloroethyl)-3-[(5-methylpyrazin-2-yl)methyl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(1-chloroethyl)-3-[(5-methylpyrazin-2-yl)methyl]imidazo[4,5-b]pyridine
PubChem CID79294675
Molecular FormulaC14H14ClN5
Molecular Weight287.75 g/mol
Exact Mass287.09
IUPAC Name2-(1-chloroethyl)-3-[(5-methylpyrazin-2-yl)methyl]imidazo[4,5-b]pyridine
SMILESCc1cnc(Cn2c(C(C)Cl)nc3cccnc32)cn1
InChIInChI=1S/C14H14ClN5/c1-9-6-18-11(7-17-9)8-20-13(10(2)15)19-12-4-3-5-16-14(12)20/h3-7,10H,8H2,1-2H3
InChIKeyYPXKGNSSRDXSIK-UHFFFAOYSA-N
XLogP2.88
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroethyl)-3-[(5-methylpyrazin-2-yl)methyl]imidazo[4,5-b]pyridine?
The IUPAC name of 2-(1-chloroethyl)-3-[(5-methylpyrazin-2-yl)methyl]imidazo[4,5-b]pyridine (CID 79294675) is 2-(1-chloroethyl)-3-[(5-methylpyrazin-2-yl)methyl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(1-chloroethyl)-3-[(5-methylpyrazin-2-yl)methyl]imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(1-chloroethyl)-3-[(5-methylpyrazin-2-yl)methyl]imidazo[4,5-b]pyridine is Cc1cnc(Cn2c(C(C)Cl)nc3cccnc32)cn1.
What is the InChIKey of 2-(1-chloroethyl)-3-[(5-methylpyrazin-2-yl)methyl]imidazo[4,5-b]pyridine?
The InChIKey is YPXKGNSSRDXSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN5/c1-9-6-18-11(7-17-9)8-20-13(10(2)15)19-12-4-3-5-16-14(12)20/h3-7,10H,8H2,1-2H3.
What are the key properties of 2-(1-chloroethyl)-3-[(5-methylpyrazin-2-yl)methyl]imidazo[4,5-b]pyridine?
2-(1-chloroethyl)-3-[(5-methylpyrazin-2-yl)methyl]imidazo[4,5-b]pyridine has a molecular weight of 287.75 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroethyl)-3-[(5-methylpyrazin-2-yl)methyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 79294675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).