1-ethyl-9-[2-(5-fluoro-2-pyridinyl)acetyl]-1,4,9-triazaspiro[5.5]undecan-5-one

C17H23FN4O2 — CID 131682056

IUPAC1-ethyl-9-[2-(5-fluoro-2-pyridinyl)acetyl]-1,4,9-triazaspiro[5.5]undecan-5-one
SMILESCCN1CCNC(=O)C12CCN(C(=O)Cc1ccc(F)cn1)CC2
InChIInChI=1S/C17H23FN4O2/c1-2-22-10-7-19-16(24)17(22)5-8-21(9-6-17)15(23)11-14-4-3-13(18)12-20-14/h3-4,12H,2,5-11H2,1H3,(H,19,24)
InChIKeyIMBFRJWWZIZYBZ-UHFFFAOYSA-N
MW334.39 g/mol
LogP0.58
Rot. Bonds3

About 1-ethyl-9-[2-(5-fluoro-2-pyridinyl)acetyl]-1,4,9-triazaspiro[5.5]undecan-5-one

1-ethyl-9-[2-(5-fluoro-2-pyridinyl)acetyl]-1,4,9-triazaspiro[5.5]undecan-5-one (PubChem CID 131682056) has the molecular formula C17H23FN4O2 and a molecular weight of 334.39 g/mol. Its IUPAC name is 1-ethyl-9-[2-(5-fluoro-2-pyridinyl)acetyl]-1,4,9-triazaspiro[5.5]undecan-5-one.

Molecular Properties

Compound Name1-ethyl-9-[2-(5-fluoro-2-pyridinyl)acetyl]-1,4,9-triazaspiro[5.5]undecan-5-one
PubChem CID131682056
Molecular FormulaC17H23FN4O2
Molecular Weight334.39 g/mol
Exact Mass334.18
IUPAC Name1-ethyl-9-[2-(5-fluoro-2-pyridinyl)acetyl]-1,4,9-triazaspiro[5.5]undecan-5-one
SMILESCCN1CCNC(=O)C12CCN(C(=O)Cc1ccc(F)cn1)CC2
InChIInChI=1S/C17H23FN4O2/c1-2-22-10-7-19-16(24)17(22)5-8-21(9-6-17)15(23)11-14-4-3-13(18)12-20-14/h3-4,12H,2,5-11H2,1H3,(H,19,24)
InChIKeyIMBFRJWWZIZYBZ-UHFFFAOYSA-N
XLogP0.58
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-9-(2-thiophen-3-ylacetyl)-1,4,9-triazaspiro[5.5]undecan-5-one
CID 97495806
1-ethyl-9-[2-(5-fluoro-2-pyridinyl)acetyl]-1,9-diazaspiro[4.6]undecan-2-one
CID 131684170
9-[2-(5-fluoro-2-pyridinyl)acetyl]-4,5-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 131683642
2-(5-amino-2-pyridinyl)-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 107339302
2-(5-fluoro-2-pyridinyl)-1-(3-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)ethanone
CID 131683888
2-(5-fluoro-2-pyridinyl)-1-(4-methyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl)ethanone
CID 131683785
N-[[6-[2-(5-fluoro-2-pyridinyl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]cyclobutanecarboxamide
CID 131682104
1-[3-(3-fluorophenyl)-7-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl]-2-pyridin-2-ylethanone
CID 97440483
8-(2-pyridin-2-ylacetyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 62848964
4-[2-(5-amino-2-pyridinyl)acetyl]piperazin-2-one
CID 107337480
(4S,4aS,9aS)-7-[2-(5-fluoro-2-pyridinyl)acetyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4,4a,5,6,8,9,9a-octahydro-2H-pyrido[3,4-d]azepin-1-one
CID 131682070
1-(7-ethyl-3-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-2-phenylethanone;bis(2,2,2-trifluoroacetic acid)
CID 118745942

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-9-[2-(5-fluoro-2-pyridinyl)acetyl]-1,4,9-triazaspiro[5.5]undecan-5-one?
The IUPAC name of 1-ethyl-9-[2-(5-fluoro-2-pyridinyl)acetyl]-1,4,9-triazaspiro[5.5]undecan-5-one (CID 131682056) is 1-ethyl-9-[2-(5-fluoro-2-pyridinyl)acetyl]-1,4,9-triazaspiro[5.5]undecan-5-one.
What is the SMILES notation for 1-ethyl-9-[2-(5-fluoro-2-pyridinyl)acetyl]-1,4,9-triazaspiro[5.5]undecan-5-one?
The canonical SMILES for 1-ethyl-9-[2-(5-fluoro-2-pyridinyl)acetyl]-1,4,9-triazaspiro[5.5]undecan-5-one is CCN1CCNC(=O)C12CCN(C(=O)Cc1ccc(F)cn1)CC2.
What is the InChIKey of 1-ethyl-9-[2-(5-fluoro-2-pyridinyl)acetyl]-1,4,9-triazaspiro[5.5]undecan-5-one?
The InChIKey is IMBFRJWWZIZYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN4O2/c1-2-22-10-7-19-16(24)17(22)5-8-21(9-6-17)15(23)11-14-4-3-13(18)12-20-14/h3-4,12H,2,5-11H2,1H3,(H,19,24).
What are the key properties of 1-ethyl-9-[2-(5-fluoro-2-pyridinyl)acetyl]-1,4,9-triazaspiro[5.5]undecan-5-one?
1-ethyl-9-[2-(5-fluoro-2-pyridinyl)acetyl]-1,4,9-triazaspiro[5.5]undecan-5-one has a molecular weight of 334.39 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-9-[2-(5-fluoro-2-pyridinyl)acetyl]-1,4,9-triazaspiro[5.5]undecan-5-one is sourced from PubChem (CID 131682056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).