N-[1-(5-chloro-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl)-3-methoxypropan-2-yl]-N-methylformamide;ethane

C18H28ClN5O3 — CID 172568965

IUPACN-[1-(5-chloro-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl)-3-methoxypropan-2-yl]-N-methylformamide;ethane
SMILESCC.COCC(Cn1cnc2c(N3CCOCC3)cc(Cl)nc21)N(C)C=O
InChIInChI=1S/C16H22ClN5O3.C2H6/c1-20(11-23)12(9-24-2)8-22-10-18-15-13(7-14(17)19-16(15)22)21-3-5-25-6-4-21;1-2/h7,10-12H,3-6,8-9H2,1-2H3;1-2H3
InChIKeyVWYJPZBPHHWURF-UHFFFAOYSA-N
MW397.91 g/mol
LogP2.05
Rot. Bonds7

About N-[1-(5-chloro-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl)-3-methoxypropan-2-yl]-N-methylformamide;ethane

N-[1-(5-chloro-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl)-3-methoxypropan-2-yl]-N-methylformamide;ethane (PubChem CID 172568965) has the molecular formula C18H28ClN5O3 and a molecular weight of 397.91 g/mol. Its IUPAC name is N-[1-(5-chloro-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl)-3-methoxypropan-2-yl]-N-methylformamide;ethane.

Molecular Properties

Compound NameN-[1-(5-chloro-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl)-3-methoxypropan-2-yl]-N-methylformamide;ethane
PubChem CID172568965
Molecular FormulaC18H28ClN5O3
Molecular Weight397.91 g/mol
Exact Mass397.19
IUPAC NameN-[1-(5-chloro-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl)-3-methoxypropan-2-yl]-N-methylformamide;ethane
SMILESCC.COCC(Cn1cnc2c(N3CCOCC3)cc(Cl)nc21)N(C)C=O
InChIInChI=1S/C16H22ClN5O3.C2H6/c1-20(11-23)12(9-24-2)8-22-10-18-15-13(7-14(17)19-16(15)22)21-3-5-25-6-4-21;1-2/h7,10-12H,3-6,8-9H2,1-2H3;1-2H3
InChIKeyVWYJPZBPHHWURF-UHFFFAOYSA-N
XLogP2.05
TPSA72.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.91
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', '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
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
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
5-[9-(1-methoxypropan-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine
CID 44600625
4-(9-ethyl-2-pyrrolidin-1-ylpurin-6-yl)morpholine
CID 167824678
4-(9-ethyl-2-methylpurin-6-yl)morpholine
CID 168920801
9-[(2S)-3-methoxy-2-methylpropyl]purine-2,6-diamine
CID 163571544
3-(2-chloro-6-morpholin-4-ylpurin-9-yl)propanoic acid
CID 123591133
2-(5-amino-3-morpholin-4-yl-1,2,4-triazol-1-yl)-3-methoxypropanethioamide
CID 19106565
2-[3-(5-chloro-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl)-5-methylpyrazol-1-yl]-N,N-dimethylethanamine
CID 166165040

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chloro-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl)-3-methoxypropan-2-yl]-N-methylformamide;ethane?
The IUPAC name of N-[1-(5-chloro-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl)-3-methoxypropan-2-yl]-N-methylformamide;ethane (CID 172568965) is N-[1-(5-chloro-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl)-3-methoxypropan-2-yl]-N-methylformamide;ethane.
What is the SMILES notation for N-[1-(5-chloro-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl)-3-methoxypropan-2-yl]-N-methylformamide;ethane?
The canonical SMILES for N-[1-(5-chloro-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl)-3-methoxypropan-2-yl]-N-methylformamide;ethane is CC.COCC(Cn1cnc2c(N3CCOCC3)cc(Cl)nc21)N(C)C=O.
What is the InChIKey of N-[1-(5-chloro-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl)-3-methoxypropan-2-yl]-N-methylformamide;ethane?
The InChIKey is VWYJPZBPHHWURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN5O3.C2H6/c1-20(11-23)12(9-24-2)8-22-10-18-15-13(7-14(17)19-16(15)22)21-3-5-25-6-4-21;1-2/h7,10-12H,3-6,8-9H2,1-2H3;1-2H3.
What are the key properties of N-[1-(5-chloro-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl)-3-methoxypropan-2-yl]-N-methylformamide;ethane?
N-[1-(5-chloro-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl)-3-methoxypropan-2-yl]-N-methylformamide;ethane has a molecular weight of 397.91 g/mol, XLogP of 2.05, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chloro-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl)-3-methoxypropan-2-yl]-N-methylformamide;ethane is sourced from PubChem (CID 172568965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).