4-[2-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]ethyl]morpholine

C15H21ClN4O — CID 79276323

IUPAC4-[2-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]ethyl]morpholine
SMILESCc1ccnc2c1nc(C(C)Cl)n2CCN1CCOCC1
InChIInChI=1S/C15H21ClN4O/c1-11-3-4-17-15-13(11)18-14(12(2)16)20(15)6-5-19-7-9-21-10-8-19/h3-4,12H,5-10H2,1-2H3
InChIKeyYLEBTTMWAUUIIW-UHFFFAOYSA-N
MW308.81 g/mol
LogP2.37
Rot. Bonds4

About 4-[2-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]ethyl]morpholine

4-[2-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]ethyl]morpholine (PubChem CID 79276323) has the molecular formula C15H21ClN4O and a molecular weight of 308.81 g/mol. Its IUPAC name is 4-[2-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]ethyl]morpholine
PubChem CID79276323
Molecular FormulaC15H21ClN4O
Molecular Weight308.81 g/mol
Exact Mass308.14
IUPAC Name4-[2-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]ethyl]morpholine
SMILESCc1ccnc2c1nc(C(C)Cl)n2CCN1CCOCC1
InChIInChI=1S/C15H21ClN4O/c1-11-3-4-17-15-13(11)18-14(12(2)16)20(15)6-5-19-7-9-21-10-8-19/h3-4,12H,5-10H2,1-2H3
InChIKeyYLEBTTMWAUUIIW-UHFFFAOYSA-N
XLogP2.37
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 52.37
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 4-[2-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]ethyl]morpholine (CID 79276323) is 4-[2-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]ethyl]morpholine is Cc1ccnc2c1nc(C(C)Cl)n2CCN1CCOCC1.
What is the InChIKey of 4-[2-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]ethyl]morpholine?
The InChIKey is YLEBTTMWAUUIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4O/c1-11-3-4-17-15-13(11)18-14(12(2)16)20(15)6-5-19-7-9-21-10-8-19/h3-4,12H,5-10H2,1-2H3.
What are the key properties of 4-[2-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]ethyl]morpholine?
4-[2-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]ethyl]morpholine has a molecular weight of 308.81 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]ethyl]morpholine is sourced from PubChem (CID 79276323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).