formic acid;morpholin-4-yl-[4-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethoxy)phenyl]methanone

C19H20N4O5 — CID 166599590

IUPACformic acid;morpholin-4-yl-[4-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethoxy)phenyl]methanone
SMILESO=C(c1ccc(OCc2cccc3ncnn23)cc1)N1CCOCC1.O=CO
InChIInChI=1S/C18H18N4O3.CH2O2/c23-18(21-8-10-24-11-9-21)14-4-6-16(7-5-14)25-12-15-2-1-3-17-19-13-20-22(15)17;2-1-3/h1-7,13H,8-12H2;1H,(H,2,3)
InChIKeyXBCYGSRXSBWVRJ-UHFFFAOYSA-N
MW384.39 g/mol
LogP1.48
Rot. Bonds4

About formic acid;morpholin-4-yl-[4-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethoxy)phenyl]methanone

formic acid;morpholin-4-yl-[4-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethoxy)phenyl]methanone (PubChem CID 166599590) has the molecular formula C19H20N4O5 and a molecular weight of 384.39 g/mol. Its IUPAC name is formic acid;morpholin-4-yl-[4-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethoxy)phenyl]methanone.

Molecular Properties

Compound Nameformic acid;morpholin-4-yl-[4-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethoxy)phenyl]methanone
PubChem CID166599590
Molecular FormulaC19H20N4O5
Molecular Weight384.39 g/mol
Exact Mass384.14
IUPAC Nameformic acid;morpholin-4-yl-[4-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethoxy)phenyl]methanone
SMILESO=C(c1ccc(OCc2cccc3ncnn23)cc1)N1CCOCC1.O=CO
InChIInChI=1S/C18H18N4O3.CH2O2/c23-18(21-8-10-24-11-9-21)14-4-6-16(7-5-14)25-12-15-2-1-3-17-19-13-20-22(15)17;2-1-3/h1-7,13H,8-12H2;1H,(H,2,3)
InChIKeyXBCYGSRXSBWVRJ-UHFFFAOYSA-N
XLogP1.48
TPSA106.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[4-(imidazo[1,2-a]pyridin-3-ylmethoxy)phenyl]-morpholin-4-ylmethanone
CID 162636193
[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]-morpholin-4-ylmethanone
CID 71830536
2-[4-(morpholine-4-carbonyl)phenoxy]-N-phenylacetamide
CID 18837739
[4-[(3,4-dimethylphenoxy)methyl]phenyl]-morpholin-4-ylmethanone
CID 894880
morpholin-4-yl-[4-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methoxy]phenyl]methanone
CID 53150425
morpholin-4-yl-[4-(4-octoxyphenyl)phenyl]methanone
CID 3399674
[4-(4-methoxyphenyl)phenyl]-morpholin-4-ylmethanone
CID 3530238
[3-[(2,5-dimethylphenyl)methoxy]phenyl]-morpholin-4-ylmethanone
CID 13176465
[4-(morpholine-4-carbonyl)-1,4-diazepan-1-yl]-[4-(3-piperidin-1-ylpropoxy)phenyl]methanone
CID 10389448
[4-(hydroxymethyl)phenyl]-morpholin-4-ylmethanone
CID 60635795
1-[4-(4-butoxybenzoyl)piperazin-1-yl]-2-morpholin-4-ylethanone
CID 55496513
4-[(1-methylimidazol-2-yl)methoxy]-N-[3-(morpholine-4-carbonyl)phenyl]benzamide
CID 55869064

Frequently Asked Questions

What is the IUPAC name of formic acid;morpholin-4-yl-[4-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethoxy)phenyl]methanone?
The IUPAC name of formic acid;morpholin-4-yl-[4-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethoxy)phenyl]methanone (CID 166599590) is formic acid;morpholin-4-yl-[4-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethoxy)phenyl]methanone.
What is the SMILES notation for formic acid;morpholin-4-yl-[4-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethoxy)phenyl]methanone?
The canonical SMILES for formic acid;morpholin-4-yl-[4-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethoxy)phenyl]methanone is O=C(c1ccc(OCc2cccc3ncnn23)cc1)N1CCOCC1.O=CO.
What is the InChIKey of formic acid;morpholin-4-yl-[4-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethoxy)phenyl]methanone?
The InChIKey is XBCYGSRXSBWVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3.CH2O2/c23-18(21-8-10-24-11-9-21)14-4-6-16(7-5-14)25-12-15-2-1-3-17-19-13-20-22(15)17;2-1-3/h1-7,13H,8-12H2;1H,(H,2,3).
What are the key properties of formic acid;morpholin-4-yl-[4-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethoxy)phenyl]methanone?
formic acid;morpholin-4-yl-[4-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethoxy)phenyl]methanone has a molecular weight of 384.39 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;morpholin-4-yl-[4-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethoxy)phenyl]methanone is sourced from PubChem (CID 166599590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).