4-[2-[2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]propyl]morpholine

C14H19ClN4O — CID 79294803

IUPAC4-[2-[2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]propyl]morpholine
SMILESCC(CN1CCOCC1)n1c(CCl)nc2cccnc21
InChIInChI=1S/C14H19ClN4O/c1-11(10-18-5-7-20-8-6-18)19-13(9-15)17-12-3-2-4-16-14(12)19/h2-4,11H,5-10H2,1H3
InChIKeyXRWOUGZTBIDSNW-UHFFFAOYSA-N
MW294.79 g/mol
LogP2.06
Rot. Bonds4

About 4-[2-[2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]propyl]morpholine

4-[2-[2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]propyl]morpholine (PubChem CID 79294803) has the molecular formula C14H19ClN4O and a molecular weight of 294.79 g/mol. Its IUPAC name is 4-[2-[2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]propyl]morpholine.

Molecular Properties

Compound Name4-[2-[2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]propyl]morpholine
PubChem CID79294803
Molecular FormulaC14H19ClN4O
Molecular Weight294.79 g/mol
Exact Mass294.12
IUPAC Name4-[2-[2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]propyl]morpholine
SMILESCC(CN1CCOCC1)n1c(CCl)nc2cccnc21
InChIInChI=1S/C14H19ClN4O/c1-11(10-18-5-7-20-8-6-18)19-13(9-15)17-12-3-2-4-16-14(12)19/h2-4,11H,5-10H2,1H3
InChIKeyXRWOUGZTBIDSNW-UHFFFAOYSA-N
XLogP2.06
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.79
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(chloromethyl)-3-hexan-2-ylimidazo[4,5-b]pyridine
CID 79294961
2-(chloromethyl)-3-(1-phenylethyl)imidazo[4,5-b]pyridine
CID 79289366
2-(chloromethyl)-3-(1-thiophen-3-ylpropan-2-yl)imidazo[4,5-b]pyridine
CID 79294519
2-(chloromethyl)-5-methoxy-3-(1-pyrrolidin-1-ylpropan-2-yl)imidazo[4,5-b]pyridine
CID 115322835
2-(chloromethyl)-7-methyl-3-(1-pyrrolidin-1-ylpropan-2-yl)imidazo[4,5-b]pyridine
CID 79293879
2-(chloromethyl)-3-[1-(2,5-dimethylthiophen-3-yl)ethyl]imidazo[4,5-b]pyridine
CID 79294950
4-[2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]morpholine
CID 83018013
2-ethyl-1-(1-morpholin-4-ylpropan-2-yl)benzimidazol-5-amine
CID 62507078
2-(oxan-2-ylmethyl)-3-propan-2-ylimidazo[4,5-b]pyridine
CID 117163778
1-morpholin-4-yl-N-(pyrimidin-2-ylmethyl)propan-2-amine
CID 62699740
6-bromo-2-(chloromethyl)-1-(1-piperidin-1-ylpropan-2-yl)benzimidazole
CID 65346599
2-(2-chloroethyl)-3-[1-(5-methylfuran-2-yl)ethyl]imidazo[4,5-b]pyridine
CID 79294520

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]propyl]morpholine?
The IUPAC name of 4-[2-[2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]propyl]morpholine (CID 79294803) is 4-[2-[2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]propyl]morpholine.
What is the SMILES notation for 4-[2-[2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]propyl]morpholine?
The canonical SMILES for 4-[2-[2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]propyl]morpholine is CC(CN1CCOCC1)n1c(CCl)nc2cccnc21.
What is the InChIKey of 4-[2-[2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]propyl]morpholine?
The InChIKey is XRWOUGZTBIDSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4O/c1-11(10-18-5-7-20-8-6-18)19-13(9-15)17-12-3-2-4-16-14(12)19/h2-4,11H,5-10H2,1H3.
What are the key properties of 4-[2-[2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]propyl]morpholine?
4-[2-[2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]propyl]morpholine has a molecular weight of 294.79 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]propyl]morpholine is sourced from PubChem (CID 79294803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).