8-fluoro-6-[(3R)-3-[[6-(4-fluorophenoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one

C21H15F2N5O4 — CID 118417796

IUPAC8-fluoro-6-[(3R)-3-[[6-(4-fluorophenoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=C1[C@H](Oc2ccc(Oc3ccc(F)cc3)nc2)CCN1c1cc(F)c2n[nH]c(=O)n2c1
InChIInChI=1S/C21H15F2N5O4/c22-12-1-3-14(4-2-12)32-18-6-5-15(10-24-18)31-17-7-8-27(20(17)29)13-9-16(23)19-25-26-21(30)28(19)11-13/h1-6,9-11,17H,7-8H2,(H,26,30)/t17-/m1/s1
InChIKeyNKYOCNLVRLADGB-QGZVFWFLSA-N
MW439.38 g/mol
LogP2.67
Rot. Bonds5

About 8-fluoro-6-[(3R)-3-[[6-(4-fluorophenoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one

8-fluoro-6-[(3R)-3-[[6-(4-fluorophenoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 118417796) has the molecular formula C21H15F2N5O4 and a molecular weight of 439.38 g/mol. Its IUPAC name is 8-fluoro-6-[(3R)-3-[[6-(4-fluorophenoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name8-fluoro-6-[(3R)-3-[[6-(4-fluorophenoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID118417796
Molecular FormulaC21H15F2N5O4
Molecular Weight439.38 g/mol
Exact Mass439.11
IUPAC Name8-fluoro-6-[(3R)-3-[[6-(4-fluorophenoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=C1[C@H](Oc2ccc(Oc3ccc(F)cc3)nc2)CCN1c1cc(F)c2n[nH]c(=O)n2c1
InChIInChI=1S/C21H15F2N5O4/c22-12-1-3-14(4-2-12)32-18-6-5-15(10-24-18)31-17-7-8-27(20(17)29)13-9-16(23)19-25-26-21(30)28(19)11-13/h1-6,9-11,17H,7-8H2,(H,26,30)/t17-/m1/s1
InChIKeyNKYOCNLVRLADGB-QGZVFWFLSA-N
XLogP2.67
TPSA101.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.38
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 8-fluoro-6-[(3R)-3-[[6-(4-fluorophenoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one with MolForge

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Related Compounds

(3R)-1-[2-[3-(4-acetylpiperazine-1-carbonyl)cyclobutyl]pyrimidin-5-yl]-3-[[6-(4-fluorophenoxy)-3-pyridinyl]oxy]pyrrolidin-2-one
CID 142414513
(3R)-3-[[6-(4-fluorophenoxy)-3-pyridinyl]oxy]pyrrolidin-2-one
CID 86715088
(3R)-3-[[6-(3-ethoxypropoxy)-3-pyridinyl]oxy]-1-(7-fluoro-3-oxo-1,2-dihydroinden-5-yl)pyrrolidin-2-one
CID 90091864
6-[(3R)-3-[(6-ethoxy-3-pyridinyl)oxy]-2-oxopyrrolidin-1-yl]-4-fluoro-2-(2-oxo-2-pyrrolidin-1-ylethyl)-3H-isoindol-1-one
CID 118418279
(3R)-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]-1-[7-fluoro-3-oxo-2-(2-oxopropyl)-1,2-dihydroinden-5-yl]pyrrolidin-2-one
CID 118427334
2-[5-[(3R)-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-N,N-dimethylacetamide
CID 126482608
N,N-diethyl-2-[7-fluoro-3-oxo-5-[(3R)-2-oxo-3-[(6-propoxy-3-pyridinyl)oxy]pyrrolidin-1-yl]-1H-isoindol-2-yl]acetamide
CID 135191088
6-[(3R)-3-[[6-(2-cyclopropylethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-4-fluoro-2-(2-oxobutyl)-3H-isoindol-1-one
CID 135190929
1-[5-[(3R)-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-3-fluoro-2-pyridinyl]-N,N-dimethylazetidine-3-carboxamide
CID 139437081
N,2-diethyl-4-[5-[(3R)-3-[[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]pyrimidin-2-yl]butanamide
CID 167004036
2-[5-[3-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-7-fluoro-3-oxo-1,2-dihydroinden-1-yl]-N,N-dimethylacetamide
CID 123613875
1-[7-fluoro-3-(1H-indol-2-yl)-2,3-dihydro-1H-inden-5-yl]-3-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]oxy]pyrrolidin-2-one
CID 150411717

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-6-[(3R)-3-[[6-(4-fluorophenoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 8-fluoro-6-[(3R)-3-[[6-(4-fluorophenoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 118417796) is 8-fluoro-6-[(3R)-3-[[6-(4-fluorophenoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 8-fluoro-6-[(3R)-3-[[6-(4-fluorophenoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 8-fluoro-6-[(3R)-3-[[6-(4-fluorophenoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one is O=C1[C@H](Oc2ccc(Oc3ccc(F)cc3)nc2)CCN1c1cc(F)c2n[nH]c(=O)n2c1.
What is the InChIKey of 8-fluoro-6-[(3R)-3-[[6-(4-fluorophenoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is NKYOCNLVRLADGB-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H15F2N5O4/c22-12-1-3-14(4-2-12)32-18-6-5-15(10-24-18)31-17-7-8-27(20(17)29)13-9-16(23)19-25-26-21(30)28(19)11-13/h1-6,9-11,17H,7-8H2,(H,26,30)/t17-/m1/s1.
What are the key properties of 8-fluoro-6-[(3R)-3-[[6-(4-fluorophenoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one?
8-fluoro-6-[(3R)-3-[[6-(4-fluorophenoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 439.38 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-6-[(3R)-3-[[6-(4-fluorophenoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 118417796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).