9-(3-fluorophenyl)-6-methyl-2-(pyridin-2-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one

C20H23FN4O — CID 118739623

IUPAC9-(3-fluorophenyl)-6-methyl-2-(pyridin-2-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one
SMILESCN1CC(=O)N(c2cccc(F)c2)CC12CCN(Cc1ccccn1)C2
InChIInChI=1S/C20H23FN4O/c1-23-13-19(26)25(18-7-4-5-16(21)11-18)15-20(23)8-10-24(14-20)12-17-6-2-3-9-22-17/h2-7,9,11H,8,10,12-15H2,1H3
InChIKeyLTKZJKKEDBURKR-UHFFFAOYSA-N
MW354.43 g/mol
LogP2.14
Rot. Bonds3

About 9-(3-fluorophenyl)-6-methyl-2-(pyridin-2-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one

9-(3-fluorophenyl)-6-methyl-2-(pyridin-2-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one (PubChem CID 118739623) has the molecular formula C20H23FN4O and a molecular weight of 354.43 g/mol. Its IUPAC name is 9-(3-fluorophenyl)-6-methyl-2-(pyridin-2-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one.

Molecular Properties

Compound Name9-(3-fluorophenyl)-6-methyl-2-(pyridin-2-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one
PubChem CID118739623
Molecular FormulaC20H23FN4O
Molecular Weight354.43 g/mol
Exact Mass354.19
IUPAC Name9-(3-fluorophenyl)-6-methyl-2-(pyridin-2-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one
SMILESCN1CC(=O)N(c2cccc(F)c2)CC12CCN(Cc1ccccn1)C2
InChIInChI=1S/C20H23FN4O/c1-23-13-19(26)25(18-7-4-5-16(21)11-18)15-20(23)8-10-24(14-20)12-17-6-2-3-9-22-17/h2-7,9,11H,8,10,12-15H2,1H3
InChIKeyLTKZJKKEDBURKR-UHFFFAOYSA-N
XLogP2.14
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-(3-fluorophenyl)-6-methyl-2-(pyridin-2-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one?
The IUPAC name of 9-(3-fluorophenyl)-6-methyl-2-(pyridin-2-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one (CID 118739623) is 9-(3-fluorophenyl)-6-methyl-2-(pyridin-2-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one.
What is the SMILES notation for 9-(3-fluorophenyl)-6-methyl-2-(pyridin-2-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one?
The canonical SMILES for 9-(3-fluorophenyl)-6-methyl-2-(pyridin-2-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one is CN1CC(=O)N(c2cccc(F)c2)CC12CCN(Cc1ccccn1)C2.
What is the InChIKey of 9-(3-fluorophenyl)-6-methyl-2-(pyridin-2-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one?
The InChIKey is LTKZJKKEDBURKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O/c1-23-13-19(26)25(18-7-4-5-16(21)11-18)15-20(23)8-10-24(14-20)12-17-6-2-3-9-22-17/h2-7,9,11H,8,10,12-15H2,1H3.
What are the key properties of 9-(3-fluorophenyl)-6-methyl-2-(pyridin-2-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one?
9-(3-fluorophenyl)-6-methyl-2-(pyridin-2-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one has a molecular weight of 354.43 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-fluorophenyl)-6-methyl-2-(pyridin-2-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one is sourced from PubChem (CID 118739623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).