[5-[[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]methyl]furan-2-yl]methyl acetate

C18H21N5O5 — CID 74226222

IUPAC[5-[[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]methyl]furan-2-yl]methyl acetate
SMILESCC(=O)OCc1ccc(CN2CCOC(COn3nnc4cccnc43)C2)o1
InChIInChI=1S/C18H21N5O5/c1-13(24)26-11-15-5-4-14(28-15)9-22-7-8-25-16(10-22)12-27-23-18-17(20-21-23)3-2-6-19-18/h2-6,16H,7-12H2,1H3
InChIKeyCOBWVMVNLMPQCZ-UHFFFAOYSA-N
MW387.40 g/mol
LogP0.81
Rot. Bonds7

About [5-[[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]methyl]furan-2-yl]methyl acetate

[5-[[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]methyl]furan-2-yl]methyl acetate (PubChem CID 74226222) has the molecular formula C18H21N5O5 and a molecular weight of 387.40 g/mol. Its IUPAC name is [5-[[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]methyl]furan-2-yl]methyl acetate.

Molecular Properties

Compound Name[5-[[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]methyl]furan-2-yl]methyl acetate
PubChem CID74226222
Molecular FormulaC18H21N5O5
Molecular Weight387.40 g/mol
Exact Mass387.15
IUPAC Name[5-[[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]methyl]furan-2-yl]methyl acetate
SMILESCC(=O)OCc1ccc(CN2CCOC(COn3nnc4cccnc43)C2)o1
InChIInChI=1S/C18H21N5O5/c1-13(24)26-11-15-5-4-14(28-15)9-22-7-8-25-16(10-22)12-27-23-18-17(20-21-23)3-2-6-19-18/h2-6,16H,7-12H2,1H3
InChIKeyCOBWVMVNLMPQCZ-UHFFFAOYSA-N
XLogP0.81
TPSA104.74 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.40
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze [5-[[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]methyl]furan-2-yl]methyl acetate with MolForge

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Related Compounds

[5-[[2-[(5-chloro-2-pyridinyl)oxymethyl]morpholin-4-yl]methyl]furan-2-yl]methyl acetate
CID 3742288
methyl 2-[[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholine-4-carbonyl]amino]benzoate
CID 3475985
2H-benzotriazol-5-yl-[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]methanone
CID 6413056
[4-(1H-pyrazol-5-yl)phenyl]-[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]methanone
CID 3561816
2-(1,3-benzothiazol-2-ylsulfanyl)-1-[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]ethanone
CID 5128261
N-(2,3-dihydro-1H-inden-2-yl)-2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholine-4-carbothioamide
CID 3785464
4-methyl-7-[2-oxo-2-[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]ethoxy]chromen-2-one
CID 3711655
1-methyl-5-pyridin-3-yl-4-[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholine-4-carbonyl]pyrrolidin-2-one
CID 3833751
methyl 4-methyl-3-[[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholine-4-carbothioyl]amino]thiophene-2-carboxylate
CID 3689884
[5-[[2-[[2-methoxy-4-(3-oxobutyl)phenoxy]methyl]morpholin-4-yl]methyl]furan-2-yl]methyl acetate
CID 74225382
(6-chloro-2H-chromen-3-yl)-[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]methanone
CID 3375909
2-(5-chloro-1-benzothiophen-3-yl)-1-[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]ethanone
CID 3836749

Frequently Asked Questions

What is the IUPAC name of [5-[[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]methyl]furan-2-yl]methyl acetate?
The IUPAC name of [5-[[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]methyl]furan-2-yl]methyl acetate (CID 74226222) is [5-[[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]methyl]furan-2-yl]methyl acetate.
What is the SMILES notation for [5-[[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]methyl]furan-2-yl]methyl acetate?
The canonical SMILES for [5-[[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]methyl]furan-2-yl]methyl acetate is CC(=O)OCc1ccc(CN2CCOC(COn3nnc4cccnc43)C2)o1.
What is the InChIKey of [5-[[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]methyl]furan-2-yl]methyl acetate?
The InChIKey is COBWVMVNLMPQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O5/c1-13(24)26-11-15-5-4-14(28-15)9-22-7-8-25-16(10-22)12-27-23-18-17(20-21-23)3-2-6-19-18/h2-6,16H,7-12H2,1H3.
What are the key properties of [5-[[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]methyl]furan-2-yl]methyl acetate?
[5-[[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]methyl]furan-2-yl]methyl acetate has a molecular weight of 387.40 g/mol, XLogP of 0.81, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]methyl]furan-2-yl]methyl acetate is sourced from PubChem (CID 74226222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).