1'-(6-morpholin-4-ylpyridine-3-carbonyl)spiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one

C18H22N6O4 — CID 165417745

IUPAC1'-(6-morpholin-4-ylpyridine-3-carbonyl)spiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one
SMILESO=C(c1ccc(N2CCOCC2)nc1)N1CCC2(C1)Cn1c(n[nH]c1=O)CO2
InChIInChI=1S/C18H22N6O4/c25-16(13-1-2-14(19-9-13)22-5-7-27-8-6-22)23-4-3-18(11-23)12-24-15(10-28-18)20-21-17(24)26/h1-2,9H,3-8,10-12H2,(H,21,26)
InChIKeyDMUTVXDYAUXRHA-UHFFFAOYSA-N
MW386.41 g/mol
LogP-0.38
Rot. Bonds2

About 1'-(6-morpholin-4-ylpyridine-3-carbonyl)spiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one

1'-(6-morpholin-4-ylpyridine-3-carbonyl)spiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one (PubChem CID 165417745) has the molecular formula C18H22N6O4 and a molecular weight of 386.41 g/mol. Its IUPAC name is 1'-(6-morpholin-4-ylpyridine-3-carbonyl)spiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one.

Molecular Properties

Compound Name1'-(6-morpholin-4-ylpyridine-3-carbonyl)spiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one
PubChem CID165417745
Molecular FormulaC18H22N6O4
Molecular Weight386.41 g/mol
Exact Mass386.17
IUPAC Name1'-(6-morpholin-4-ylpyridine-3-carbonyl)spiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one
SMILESO=C(c1ccc(N2CCOCC2)nc1)N1CCC2(C1)Cn1c(n[nH]c1=O)CO2
InChIInChI=1S/C18H22N6O4/c25-16(13-1-2-14(19-9-13)22-5-7-27-8-6-22)23-4-3-18(11-23)12-24-15(10-28-18)20-21-17(24)26/h1-2,9H,3-8,10-12H2,(H,21,26)
InChIKeyDMUTVXDYAUXRHA-UHFFFAOYSA-N
XLogP-0.38
TPSA105.58 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-oxo-2-(3-oxospiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-1'-yl)ethyl]benzamide
CID 165422154
1'-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)spiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one
CID 165422931
ethane;1-(6-morpholin-4-yl-3-pyridinyl)ethanone
CID 145421407
1'-propan-2-ylspiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one
CID 165418303
1-[4-[5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-pyridinyl]piperazin-1-yl]ethanone
CID 109155101
1'-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one
CID 165422356
3-ethyl-8-(2-morpholin-4-ylpyrimidine-5-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70758115
1'-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]spiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one
CID 165421895
[6-(1,4-oxazepan-4-yl)-3-pyridinyl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone
CID 56741230
N,N-dimethyl-4-(6-morpholin-4-ylpyridine-3-carbonyl)piperazine-1-sulfonamide
CID 32505460
4-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-3-carbonyl]piperazine-1-carbaldehyde
CID 109155001
[(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone
CID 154778636

Frequently Asked Questions

What is the IUPAC name of 1'-(6-morpholin-4-ylpyridine-3-carbonyl)spiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one?
The IUPAC name of 1'-(6-morpholin-4-ylpyridine-3-carbonyl)spiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one (CID 165417745) is 1'-(6-morpholin-4-ylpyridine-3-carbonyl)spiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one.
What is the SMILES notation for 1'-(6-morpholin-4-ylpyridine-3-carbonyl)spiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one?
The canonical SMILES for 1'-(6-morpholin-4-ylpyridine-3-carbonyl)spiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one is O=C(c1ccc(N2CCOCC2)nc1)N1CCC2(C1)Cn1c(n[nH]c1=O)CO2.
What is the InChIKey of 1'-(6-morpholin-4-ylpyridine-3-carbonyl)spiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one?
The InChIKey is DMUTVXDYAUXRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O4/c25-16(13-1-2-14(19-9-13)22-5-7-27-8-6-22)23-4-3-18(11-23)12-24-15(10-28-18)20-21-17(24)26/h1-2,9H,3-8,10-12H2,(H,21,26).
What are the key properties of 1'-(6-morpholin-4-ylpyridine-3-carbonyl)spiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one?
1'-(6-morpholin-4-ylpyridine-3-carbonyl)spiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one has a molecular weight of 386.41 g/mol, XLogP of -0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(6-morpholin-4-ylpyridine-3-carbonyl)spiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one is sourced from PubChem (CID 165417745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).