4-[5-chloro-3-[2-(trideuteriomethoxy)ethyl]imidazo[4,5-b]pyridin-7-yl]morpholine

C13H17ClN4O2 — CID 172568490

IUPAC4-[5-chloro-3-[2-(trideuteriomethoxy)ethyl]imidazo[4,5-b]pyridin-7-yl]morpholine
SMILES[2H]C([2H])([2H])OCCn1cnc2c(N3CCOCC3)cc(Cl)nc21
InChIInChI=1S/C13H17ClN4O2/c1-19-5-2-18-9-15-12-10(8-11(14)16-13(12)18)17-3-6-20-7-4-17/h8-9H,2-7H2,1H3/i1D3
InChIKeyZBOSJMPHMWHPDG-FIBGUPNXSA-N
MW299.78 g/mol
LogP1.57
Rot. Bonds5

About 4-[5-chloro-3-[2-(trideuteriomethoxy)ethyl]imidazo[4,5-b]pyridin-7-yl]morpholine

4-[5-chloro-3-[2-(trideuteriomethoxy)ethyl]imidazo[4,5-b]pyridin-7-yl]morpholine (PubChem CID 172568490) has the molecular formula C13H17ClN4O2 and a molecular weight of 299.78 g/mol. Its IUPAC name is 4-[5-chloro-3-[2-(trideuteriomethoxy)ethyl]imidazo[4,5-b]pyridin-7-yl]morpholine.

Molecular Properties

Compound Name4-[5-chloro-3-[2-(trideuteriomethoxy)ethyl]imidazo[4,5-b]pyridin-7-yl]morpholine
PubChem CID172568490
Molecular FormulaC13H17ClN4O2
Molecular Weight299.78 g/mol
Exact Mass299.12
IUPAC Name4-[5-chloro-3-[2-(trideuteriomethoxy)ethyl]imidazo[4,5-b]pyridin-7-yl]morpholine
SMILES[2H]C([2H])([2H])OCCn1cnc2c(N3CCOCC3)cc(Cl)nc21
InChIInChI=1S/C13H17ClN4O2/c1-19-5-2-18-9-15-12-10(8-11(14)16-13(12)18)17-3-6-20-7-4-17/h8-9H,2-7H2,1H3/i1D3
InChIKeyZBOSJMPHMWHPDG-FIBGUPNXSA-N
XLogP1.57
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.78
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-(5-chloro-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl)-N-methylethanamine
CID 172568485
(4R)-4-[(5-chloro-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl)methyl]-3-methyl-1,3-oxazolidin-2-one
CID 172568827
N-[1-(5-chloro-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl)-3-methoxypropan-2-yl]-N-methylformamide;ethane
CID 172568965
1-[3-(2-methoxyethyl)-7-morpholin-4-ylimidazo[4,5-b]pyridin-5-yl]-N,N-dimethyl-3-(3-methylphenyl)pyrazole-5-carboxamide
CID 172568503
2-(6-chloro-4-morpholin-4-ylpyridazin-3-yl)oxyethanol
CID 90456494
3-(2-chloro-6-morpholin-4-ylpurin-9-yl)propanoic acid
CID 123591133
2-[5-[3-(2-fluoro-3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl]-N-methylethanamine
CID 172568646
4-(9-ethyl-2-pyrrolidin-1-ylpurin-6-yl)morpholine
CID 167824678
4-(9-ethyl-2-methylpurin-6-yl)morpholine
CID 168920801
N-methyl-2-[7-morpholin-4-yl-5-[3-[3-(trifluoromethoxy)phenyl]pyrazol-1-yl]imidazo[4,5-b]pyridin-3-yl]ethanamine
CID 172568584
4-[2-chloro-9-[2-(oxan-2-yl)ethyl]purin-6-yl]morpholine
CID 141233569
3-[9-(2-hydroxyethyl)-2-morpholin-4-ylpurin-6-yl]phenol
CID 44608912

Frequently Asked Questions

What is the IUPAC name of 4-[5-chloro-3-[2-(trideuteriomethoxy)ethyl]imidazo[4,5-b]pyridin-7-yl]morpholine?
The IUPAC name of 4-[5-chloro-3-[2-(trideuteriomethoxy)ethyl]imidazo[4,5-b]pyridin-7-yl]morpholine (CID 172568490) is 4-[5-chloro-3-[2-(trideuteriomethoxy)ethyl]imidazo[4,5-b]pyridin-7-yl]morpholine.
What is the SMILES notation for 4-[5-chloro-3-[2-(trideuteriomethoxy)ethyl]imidazo[4,5-b]pyridin-7-yl]morpholine?
The canonical SMILES for 4-[5-chloro-3-[2-(trideuteriomethoxy)ethyl]imidazo[4,5-b]pyridin-7-yl]morpholine is [2H]C([2H])([2H])OCCn1cnc2c(N3CCOCC3)cc(Cl)nc21.
What is the InChIKey of 4-[5-chloro-3-[2-(trideuteriomethoxy)ethyl]imidazo[4,5-b]pyridin-7-yl]morpholine?
The InChIKey is ZBOSJMPHMWHPDG-FIBGUPNXSA-N. The full InChI is InChI=1S/C13H17ClN4O2/c1-19-5-2-18-9-15-12-10(8-11(14)16-13(12)18)17-3-6-20-7-4-17/h8-9H,2-7H2,1H3/i1D3.
What are the key properties of 4-[5-chloro-3-[2-(trideuteriomethoxy)ethyl]imidazo[4,5-b]pyridin-7-yl]morpholine?
4-[5-chloro-3-[2-(trideuteriomethoxy)ethyl]imidazo[4,5-b]pyridin-7-yl]morpholine has a molecular weight of 299.78 g/mol, XLogP of 1.57, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-chloro-3-[2-(trideuteriomethoxy)ethyl]imidazo[4,5-b]pyridin-7-yl]morpholine is sourced from PubChem (CID 172568490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).