1-ethyl-7-methyl-3-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carbonyl]-1,8-naphthyridin-4-one

C21H19F3N4O3 — CID 122247626

IUPAC1-ethyl-7-methyl-3-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carbonyl]-1,8-naphthyridin-4-one
SMILESCCn1cc(C(=O)N2CC(Oc3ccc(C(F)(F)F)cn3)C2)c(=O)c2ccc(C)nc21
InChIInChI=1S/C21H19F3N4O3/c1-3-27-11-16(18(29)15-6-4-12(2)26-19(15)27)20(30)28-9-14(10-28)31-17-7-5-13(8-25-17)21(22,23)24/h4-8,11,14H,3,9-10H2,1-2H3
InChIKeyHSWPWVPKFOTHFK-UHFFFAOYSA-N
MW432.40 g/mol
LogP3.04
Rot. Bonds4

About 1-ethyl-7-methyl-3-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carbonyl]-1,8-naphthyridin-4-one

1-ethyl-7-methyl-3-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carbonyl]-1,8-naphthyridin-4-one (PubChem CID 122247626) has the molecular formula C21H19F3N4O3 and a molecular weight of 432.40 g/mol. Its IUPAC name is 1-ethyl-7-methyl-3-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carbonyl]-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name1-ethyl-7-methyl-3-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carbonyl]-1,8-naphthyridin-4-one
PubChem CID122247626
Molecular FormulaC21H19F3N4O3
Molecular Weight432.40 g/mol
Exact Mass432.14
IUPAC Name1-ethyl-7-methyl-3-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carbonyl]-1,8-naphthyridin-4-one
SMILESCCn1cc(C(=O)N2CC(Oc3ccc(C(F)(F)F)cn3)C2)c(=O)c2ccc(C)nc21
InChIInChI=1S/C21H19F3N4O3/c1-3-27-11-16(18(29)15-6-4-12(2)26-19(15)27)20(30)28-9-14(10-28)31-17-7-5-13(8-25-17)21(22,23)24/h4-8,11,14H,3,9-10H2,1-2H3
InChIKeyHSWPWVPKFOTHFK-UHFFFAOYSA-N
XLogP3.04
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.40
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-ethyl-7-methyl-3-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carbonyl]-1,8-naphthyridin-4-one with MolForge

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Related Compounds

6-[1-(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122248820
1-ethyl-7-methyl-3-[(3R)-3-pyrazin-2-yloxypiperidine-1-carbonyl]-1,8-naphthyridin-4-one
CID 100645703
1-ethyl-7-methyl-3-[(3S)-3-pyrazin-2-yloxypiperidine-1-carbonyl]-1,8-naphthyridin-4-one
CID 100645686
(3,4,5-triethoxyphenyl)-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122247512
(2-ethylsulfanylphenyl)-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122247611
[6-methyl-2-(triazol-2-yl)-3-pyridinyl]-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone
CID 134503246
(4-methylthiophen-2-yl)-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122247666
thiophen-3-yl-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122247644
3-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine-1-carbonyl]-1-ethyl-7-methyl-1,8-naphthyridin-4-one
CID 90495193
(4-methyl-3-nitrophenyl)-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122247534
1-[4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carbonyl]piperidin-1-yl]ethanone
CID 122247458
3-(4-methoxyphenyl)-1-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]propan-1-one
CID 122247607

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-7-methyl-3-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carbonyl]-1,8-naphthyridin-4-one?
The IUPAC name of 1-ethyl-7-methyl-3-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carbonyl]-1,8-naphthyridin-4-one (CID 122247626) is 1-ethyl-7-methyl-3-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carbonyl]-1,8-naphthyridin-4-one.
What is the SMILES notation for 1-ethyl-7-methyl-3-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carbonyl]-1,8-naphthyridin-4-one?
The canonical SMILES for 1-ethyl-7-methyl-3-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carbonyl]-1,8-naphthyridin-4-one is CCn1cc(C(=O)N2CC(Oc3ccc(C(F)(F)F)cn3)C2)c(=O)c2ccc(C)nc21.
What is the InChIKey of 1-ethyl-7-methyl-3-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carbonyl]-1,8-naphthyridin-4-one?
The InChIKey is HSWPWVPKFOTHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N4O3/c1-3-27-11-16(18(29)15-6-4-12(2)26-19(15)27)20(30)28-9-14(10-28)31-17-7-5-13(8-25-17)21(22,23)24/h4-8,11,14H,3,9-10H2,1-2H3.
What are the key properties of 1-ethyl-7-methyl-3-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carbonyl]-1,8-naphthyridin-4-one?
1-ethyl-7-methyl-3-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carbonyl]-1,8-naphthyridin-4-one has a molecular weight of 432.40 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-7-methyl-3-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carbonyl]-1,8-naphthyridin-4-one is sourced from PubChem (CID 122247626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).