[8-[(3-fluoro-2-pyridinyl)oxymethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-(1H-indol-3-yl)methanone

C21H20FN3O3 — CID 131669307

IUPAC[8-[(3-fluoro-2-pyridinyl)oxymethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-(1H-indol-3-yl)methanone
SMILESO=C(c1c[nH]c2ccccc12)N1CC2(C1)OCCC2COc1ncccc1F
InChIInChI=1S/C21H20FN3O3/c22-17-5-3-8-23-19(17)27-11-14-7-9-28-21(14)12-25(13-21)20(26)16-10-24-18-6-2-1-4-15(16)18/h1-6,8,10,14,24H,7,9,11-13H2
InChIKeyRDRILGSZXZFPAD-UHFFFAOYSA-N
MW381.41 g/mol
LogP3.01
Rot. Bonds4

About [8-[(3-fluoro-2-pyridinyl)oxymethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-(1H-indol-3-yl)methanone

[8-[(3-fluoro-2-pyridinyl)oxymethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-(1H-indol-3-yl)methanone (PubChem CID 131669307) has the molecular formula C21H20FN3O3 and a molecular weight of 381.41 g/mol. Its IUPAC name is [8-[(3-fluoro-2-pyridinyl)oxymethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-(1H-indol-3-yl)methanone.

Molecular Properties

Compound Name[8-[(3-fluoro-2-pyridinyl)oxymethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-(1H-indol-3-yl)methanone
PubChem CID131669307
Molecular FormulaC21H20FN3O3
Molecular Weight381.41 g/mol
Exact Mass381.15
IUPAC Name[8-[(3-fluoro-2-pyridinyl)oxymethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-(1H-indol-3-yl)methanone
SMILESO=C(c1c[nH]c2ccccc12)N1CC2(C1)OCCC2COc1ncccc1F
InChIInChI=1S/C21H20FN3O3/c22-17-5-3-8-23-19(17)27-11-14-7-9-28-21(14)12-25(13-21)20(26)16-10-24-18-6-2-1-4-15(16)18/h1-6,8,10,14,24H,7,9,11-13H2
InChIKeyRDRILGSZXZFPAD-UHFFFAOYSA-N
XLogP3.01
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

[8-[(3-fluoro-2-pyridinyl)oxymethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-pyridazin-4-ylmethanone
CID 131640418
8-[(3-fluoro-2-pyridinyl)oxymethyl]-N,N-dimethyl-5-oxa-2-azaspiro[3.4]octane-2-carboxamide
CID 131639733
[8-[(3-fluoro-2-pyridinyl)oxymethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-pyridazin-4-ylmethanone;2,2,2-trifluoroacetic acid
CID 155863813
1-[8-[(3-fluoro-2-pyridinyl)oxymethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]butan-1-one;2,2,2-trifluoroacetic acid
CID 155865636
[(8R)-8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-pyridin-4-ylmethanone
CID 124792526
1-[8-[(3-fluoro-2-pyridinyl)oxymethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-3-methylbutan-1-one;2,2,2-trifluoroacetic acid
CID 155861006
8-[(3-fluoro-2-pyridinyl)oxymethyl]-2-propan-2-ylsulfonyl-5-oxa-2-azaspiro[3.4]octane
CID 131692014
8-[(3-fluoro-2-pyridinyl)oxymethyl]-2-(pyridin-4-ylmethyl)-5-oxa-2-azaspiro[3.4]octane;tris(2,2,2-trifluoroacetic acid)
CID 155866493
(2-fluorophenyl)-[(8S)-8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 124794597
[8-(pyridin-3-yloxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-pyrimidin-2-ylmethanone
CID 133143433
1,3-oxazol-4-yl-[(8R)-8-(pyridin-2-yloxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 124794656
8-[(3-fluoro-2-pyridinyl)oxymethyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.4]octane
CID 131660991

Frequently Asked Questions

What is the IUPAC name of [8-[(3-fluoro-2-pyridinyl)oxymethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-(1H-indol-3-yl)methanone?
The IUPAC name of [8-[(3-fluoro-2-pyridinyl)oxymethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-(1H-indol-3-yl)methanone (CID 131669307) is [8-[(3-fluoro-2-pyridinyl)oxymethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-(1H-indol-3-yl)methanone.
What is the SMILES notation for [8-[(3-fluoro-2-pyridinyl)oxymethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-(1H-indol-3-yl)methanone?
The canonical SMILES for [8-[(3-fluoro-2-pyridinyl)oxymethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-(1H-indol-3-yl)methanone is O=C(c1c[nH]c2ccccc12)N1CC2(C1)OCCC2COc1ncccc1F.
What is the InChIKey of [8-[(3-fluoro-2-pyridinyl)oxymethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-(1H-indol-3-yl)methanone?
The InChIKey is RDRILGSZXZFPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O3/c22-17-5-3-8-23-19(17)27-11-14-7-9-28-21(14)12-25(13-21)20(26)16-10-24-18-6-2-1-4-15(16)18/h1-6,8,10,14,24H,7,9,11-13H2.
What are the key properties of [8-[(3-fluoro-2-pyridinyl)oxymethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-(1H-indol-3-yl)methanone?
[8-[(3-fluoro-2-pyridinyl)oxymethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-(1H-indol-3-yl)methanone has a molecular weight of 381.41 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [8-[(3-fluoro-2-pyridinyl)oxymethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-(1H-indol-3-yl)methanone is sourced from PubChem (CID 131669307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).