2-(5-chloro-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl)-N-methylethanamine

C13H18ClN5O — CID 172568485

IUPAC2-(5-chloro-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl)-N-methylethanamine
SMILESCNCCn1cnc2c(N3CCOCC3)cc(Cl)nc21
InChIInChI=1S/C13H18ClN5O/c1-15-2-3-19-9-16-12-10(8-11(14)17-13(12)19)18-4-6-20-7-5-18/h8-9,15H,2-7H2,1H3
InChIKeySBAZLYBSGZWIIY-UHFFFAOYSA-N
MW295.77 g/mol
LogP1.14
Rot. Bonds4

About 2-(5-chloro-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl)-N-methylethanamine

2-(5-chloro-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl)-N-methylethanamine (PubChem CID 172568485) has the molecular formula C13H18ClN5O and a molecular weight of 295.77 g/mol. Its IUPAC name is 2-(5-chloro-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(5-chloro-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl)-N-methylethanamine
PubChem CID172568485
Molecular FormulaC13H18ClN5O
Molecular Weight295.77 g/mol
Exact Mass295.12
IUPAC Name2-(5-chloro-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl)-N-methylethanamine
SMILESCNCCn1cnc2c(N3CCOCC3)cc(Cl)nc21
InChIInChI=1S/C13H18ClN5O/c1-15-2-3-19-9-16-12-10(8-11(14)17-13(12)19)18-4-6-20-7-5-18/h8-9,15H,2-7H2,1H3
InChIKeySBAZLYBSGZWIIY-UHFFFAOYSA-N
XLogP1.14
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[5-chloro-3-[2-(trideuteriomethoxy)ethyl]imidazo[4,5-b]pyridin-7-yl]morpholine
CID 172568490
(4R)-4-[(5-chloro-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl)methyl]-3-methyl-1,3-oxazolidin-2-one
CID 172568827
2-[5-[3-(2-fluoro-3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl]-N-methylethanamine
CID 172568646
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
N-[1-(5-chloro-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl)-3-methoxypropan-2-yl]-N-methylformamide;ethane
CID 172568965
3-(2-chloro-6-morpholin-4-ylpurin-9-yl)propanoic acid
CID 123591133
4-(9-ethyl-2-pyrrolidin-1-ylpurin-6-yl)morpholine
CID 167824678
4-(9-ethyl-2-methylpurin-6-yl)morpholine
CID 168920801
3-[9-(2-hydroxyethyl)-2-morpholin-4-ylpurin-6-yl]phenol
CID 44608912
4-[2-chloro-9-[2-(oxan-2-yl)ethyl]purin-6-yl]morpholine
CID 141233569
N-[(3-methylphenyl)methylideneamino]-2-morpholin-4-yl-9-(2-morpholin-4-ylethyl)purin-6-amine
CID 170724562
N-[(E)-1-(3-chloro-4-fluorophenyl)ethylideneamino]-3-methyl-7-morpholin-4-ylimidazo[4,5-b]pyridin-5-amine
CID 172568919

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl)-N-methylethanamine?
The IUPAC name of 2-(5-chloro-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl)-N-methylethanamine (CID 172568485) is 2-(5-chloro-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl)-N-methylethanamine.
What is the SMILES notation for 2-(5-chloro-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl)-N-methylethanamine?
The canonical SMILES for 2-(5-chloro-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl)-N-methylethanamine is CNCCn1cnc2c(N3CCOCC3)cc(Cl)nc21.
What is the InChIKey of 2-(5-chloro-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl)-N-methylethanamine?
The InChIKey is SBAZLYBSGZWIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN5O/c1-15-2-3-19-9-16-12-10(8-11(14)17-13(12)19)18-4-6-20-7-5-18/h8-9,15H,2-7H2,1H3.
What are the key properties of 2-(5-chloro-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl)-N-methylethanamine?
2-(5-chloro-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl)-N-methylethanamine has a molecular weight of 295.77 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl)-N-methylethanamine is sourced from PubChem (CID 172568485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).