8-(3-fluoro-5-methyl-2-pyridinyl)-5-[[4-(trifluoromethyl)phenyl]methyl]-2-oxa-5,8-diazaspiro[3.5]nonane-6,9-dione

C20H17F4N3O3 — CID 167632049

IUPAC8-(3-fluoro-5-methyl-2-pyridinyl)-5-[[4-(trifluoromethyl)phenyl]methyl]-2-oxa-5,8-diazaspiro[3.5]nonane-6,9-dione
SMILESCc1cnc(N2CC(=O)N(Cc3ccc(C(F)(F)F)cc3)C3(COC3)C2=O)c(F)c1
InChIInChI=1S/C20H17F4N3O3/c1-12-6-15(21)17(25-7-12)26-9-16(28)27(19(18(26)29)10-30-11-19)8-13-2-4-14(5-3-13)20(22,23)24/h2-7H,8-11H2,1H3
InChIKeyNYHGEWQZLACLAY-UHFFFAOYSA-N
MW423.37 g/mol
LogP2.69
Rot. Bonds3

About 8-(3-fluoro-5-methyl-2-pyridinyl)-5-[[4-(trifluoromethyl)phenyl]methyl]-2-oxa-5,8-diazaspiro[3.5]nonane-6,9-dione

8-(3-fluoro-5-methyl-2-pyridinyl)-5-[[4-(trifluoromethyl)phenyl]methyl]-2-oxa-5,8-diazaspiro[3.5]nonane-6,9-dione (PubChem CID 167632049) has the molecular formula C20H17F4N3O3 and a molecular weight of 423.37 g/mol. Its IUPAC name is 8-(3-fluoro-5-methyl-2-pyridinyl)-5-[[4-(trifluoromethyl)phenyl]methyl]-2-oxa-5,8-diazaspiro[3.5]nonane-6,9-dione.

Molecular Properties

Compound Name8-(3-fluoro-5-methyl-2-pyridinyl)-5-[[4-(trifluoromethyl)phenyl]methyl]-2-oxa-5,8-diazaspiro[3.5]nonane-6,9-dione
PubChem CID167632049
Molecular FormulaC20H17F4N3O3
Molecular Weight423.37 g/mol
Exact Mass423.12
IUPAC Name8-(3-fluoro-5-methyl-2-pyridinyl)-5-[[4-(trifluoromethyl)phenyl]methyl]-2-oxa-5,8-diazaspiro[3.5]nonane-6,9-dione
SMILESCc1cnc(N2CC(=O)N(Cc3ccc(C(F)(F)F)cc3)C3(COC3)C2=O)c(F)c1
InChIInChI=1S/C20H17F4N3O3/c1-12-6-15(21)17(25-7-12)26-9-16(28)27(19(18(26)29)10-30-11-19)8-13-2-4-14(5-3-13)20(22,23)24/h2-7H,8-11H2,1H3
InChIKeyNYHGEWQZLACLAY-UHFFFAOYSA-N
XLogP2.69
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.37
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-(3-fluoro-5-methyl-2-pyridinyl)-5-[(4-fluorophenyl)methyl]-2-hydroxy-5,8-diazaspiro[3.5]nonane-6,9-dione
CID 167626887
8-(5-chloro-3-fluoro-2-pyridinyl)-6,9-dioxo-5-[[4-(trifluoromethyl)phenyl]methyl]-2,5,8-triazaspiro[3.5]nonane-2-carboxylic acid
CID 146425955
8-(2-fluoro-4-methylphenyl)-5-[(4-fluorophenyl)methyl]-2-oxa-5,8-diazaspiro[3.5]nonane-6,9-dione
CID 167623480
2-acetyl-11-[(4-chlorophenyl)methyl]-8-(3-fluoro-5-methyl-2-pyridinyl)-2,8,11-triazadispiro[3.1.56.14]dodecane-7,10-dione
CID 167676251
(3S)-1-(3-fluoro-5-methyl-2-pyridinyl)-3-(2-methylsulfonylethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-2,5-dione
CID 167558282
2-acetyl-8-(5-ethynyl-3-methyl-2-pyridinyl)-5-[[4-(trifluoromethyl)phenyl]methyl]-2,5,8-triazaspiro[3.5]nonane-6,9-dione
CID 167684742
8-(3,5-dimethyl-2-pyridinyl)-5-[(4-fluorophenyl)methyl]-2-(5-fluoro-2-pyridinyl)-2,5,8-triazaspiro[3.5]nonane-6,9-dione
CID 167669825
8-(3,4-difluorophenyl)-N-methyl-6,9-dioxo-5-[[4-(trifluoromethyl)phenyl]methyl]-2,5,8-triazaspiro[3.5]nonane-2-carboxamide
CID 146465177
1-(5-chloro-3-fluoro-2-pyridinyl)-3-(oxan-4-yl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-2,5-dione
CID 146465230
8-(5-chloro-3-methyl-2-pyridinyl)-5-[(4-fluorophenyl)methyl]-2-(5-fluoro-2-pyridinyl)-2,5,8-triazaspiro[3.5]nonane-6,9-dione
CID 146465038
(3S,6S)-1-(3-fluoro-5-methyl-2-pyridinyl)-3-(hydroxymethyl)-6-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-2,5-dione
CID 167552497
8-(5-chloro-3-fluoro-2-pyridinyl)-N-methyl-6,9-dioxo-5-[1-[4-(trifluoromethyl)phenyl]ethyl]-2,5,8-triazaspiro[3.5]nonane-2-carboxamide
CID 146465304

Frequently Asked Questions

What is the IUPAC name of 8-(3-fluoro-5-methyl-2-pyridinyl)-5-[[4-(trifluoromethyl)phenyl]methyl]-2-oxa-5,8-diazaspiro[3.5]nonane-6,9-dione?
The IUPAC name of 8-(3-fluoro-5-methyl-2-pyridinyl)-5-[[4-(trifluoromethyl)phenyl]methyl]-2-oxa-5,8-diazaspiro[3.5]nonane-6,9-dione (CID 167632049) is 8-(3-fluoro-5-methyl-2-pyridinyl)-5-[[4-(trifluoromethyl)phenyl]methyl]-2-oxa-5,8-diazaspiro[3.5]nonane-6,9-dione.
What is the SMILES notation for 8-(3-fluoro-5-methyl-2-pyridinyl)-5-[[4-(trifluoromethyl)phenyl]methyl]-2-oxa-5,8-diazaspiro[3.5]nonane-6,9-dione?
The canonical SMILES for 8-(3-fluoro-5-methyl-2-pyridinyl)-5-[[4-(trifluoromethyl)phenyl]methyl]-2-oxa-5,8-diazaspiro[3.5]nonane-6,9-dione is Cc1cnc(N2CC(=O)N(Cc3ccc(C(F)(F)F)cc3)C3(COC3)C2=O)c(F)c1.
What is the InChIKey of 8-(3-fluoro-5-methyl-2-pyridinyl)-5-[[4-(trifluoromethyl)phenyl]methyl]-2-oxa-5,8-diazaspiro[3.5]nonane-6,9-dione?
The InChIKey is NYHGEWQZLACLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F4N3O3/c1-12-6-15(21)17(25-7-12)26-9-16(28)27(19(18(26)29)10-30-11-19)8-13-2-4-14(5-3-13)20(22,23)24/h2-7H,8-11H2,1H3.
What are the key properties of 8-(3-fluoro-5-methyl-2-pyridinyl)-5-[[4-(trifluoromethyl)phenyl]methyl]-2-oxa-5,8-diazaspiro[3.5]nonane-6,9-dione?
8-(3-fluoro-5-methyl-2-pyridinyl)-5-[[4-(trifluoromethyl)phenyl]methyl]-2-oxa-5,8-diazaspiro[3.5]nonane-6,9-dione has a molecular weight of 423.37 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-fluoro-5-methyl-2-pyridinyl)-5-[[4-(trifluoromethyl)phenyl]methyl]-2-oxa-5,8-diazaspiro[3.5]nonane-6,9-dione is sourced from PubChem (CID 167632049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).