[3-[[2-(2-ethylpyrazol-3-yl)-5-fluoro-4-pyridinyl]oxy]azetidin-1-yl]-[3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]methanone

C22H21F2N7O2 — CID 167187511

IUPAC[3-[[2-(2-ethylpyrazol-3-yl)-5-fluoro-4-pyridinyl]oxy]azetidin-1-yl]-[3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]methanone
SMILESCCn1nccc1-c1cc(OC2CN(C(=O)N3N=CCC3c3cncc(F)c3)C2)c(F)cn1
InChIInChI=1S/C22H21F2N7O2/c1-2-30-20(4-5-27-30)18-8-21(17(24)11-26-18)33-16-12-29(13-16)22(32)31-19(3-6-28-31)14-7-15(23)10-25-9-14/h4-11,16,19H,2-3,12-13H2,1H3
InChIKeyNPPAWAIWDVKVDX-UHFFFAOYSA-N
MW453.45 g/mol
LogP3.25
Rot. Bonds5

About [3-[[2-(2-ethylpyrazol-3-yl)-5-fluoro-4-pyridinyl]oxy]azetidin-1-yl]-[3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]methanone

[3-[[2-(2-ethylpyrazol-3-yl)-5-fluoro-4-pyridinyl]oxy]azetidin-1-yl]-[3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]methanone (PubChem CID 167187511) has the molecular formula C22H21F2N7O2 and a molecular weight of 453.45 g/mol. Its IUPAC name is [3-[[2-(2-ethylpyrazol-3-yl)-5-fluoro-4-pyridinyl]oxy]azetidin-1-yl]-[3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]methanone.

Molecular Properties

Compound Name[3-[[2-(2-ethylpyrazol-3-yl)-5-fluoro-4-pyridinyl]oxy]azetidin-1-yl]-[3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]methanone
PubChem CID167187511
Molecular FormulaC22H21F2N7O2
Molecular Weight453.45 g/mol
Exact Mass453.17
IUPAC Name[3-[[2-(2-ethylpyrazol-3-yl)-5-fluoro-4-pyridinyl]oxy]azetidin-1-yl]-[3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]methanone
SMILESCCn1nccc1-c1cc(OC2CN(C(=O)N3N=CCC3c3cncc(F)c3)C2)c(F)cn1
InChIInChI=1S/C22H21F2N7O2/c1-2-30-20(4-5-27-30)18-8-21(17(24)11-26-18)33-16-12-29(13-16)22(32)31-19(3-6-28-31)14-7-15(23)10-25-9-14/h4-11,16,19H,2-3,12-13H2,1H3
InChIKeyNPPAWAIWDVKVDX-UHFFFAOYSA-N
XLogP3.25
TPSA88.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.45
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [3-[[2-(2-ethylpyrazol-3-yl)-5-fluoro-4-pyridinyl]oxy]azetidin-1-yl]-[3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]methanone with MolForge

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Related Compounds

[3-[[5-fluoro-2-(1-methylimidazol-2-yl)-4-pyridinyl]oxy]azetidin-1-yl]-[(3S)-3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]methanone
CID 167187535
[3-[[2-(4-chloro-1-methylpyrazol-5-yl)-5-fluoro-4-pyridinyl]oxy]azetidin-1-yl]-[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]methanone
CID 166857812
[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[[5-fluoro-2-(1-methylimidazol-2-yl)-4-pyridinyl]oxy]azetidin-1-yl]methanone
CID 166857630
[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[[5-fluoro-2-(4-methyl-1,3-thiazol-5-yl)-4-pyridinyl]oxy]azetidin-1-yl]methanone
CID 166857843
[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[[5-fluoro-2-(1,3-thiazol-5-yl)-4-pyridinyl]oxy]azetidin-1-yl]methanone
CID 166857557
[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[[2-(2,5-dimethylpyrrol-1-yl)-5-fluoro-4-pyridinyl]oxy]azetidin-1-yl]methanone
CID 166857869
3-fluoro-5-[2-[3-[[5-fluoro-2-(4-methyl-1,3-thiazol-5-yl)-4-pyridinyl]oxy]azetidine-1-carbonyl]-3,4-dihydropyrazol-3-yl]benzonitrile
CID 167187793
5-[4-[1-[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]azetidin-3-yl]oxy-5-fluoro-2-pyridinyl]-1,4-dimethylpyrazole-3-carbonitrile
CID 166857882
5-[4-[1-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]azetidin-3-yl]oxy-5-fluoro-2-pyridinyl]-1,4-dimethylpyrazole-3-carboxamide
CID 174200499
[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(3,5-difluoro-2-pyridinyl)oxy]azetidin-1-yl]methanone
CID 151475313
[3-(2,5-difluorophenoxy)azetidin-1-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone
CID 150722383
[3-[[2-[1-(azetidin-3-yl)-3,5-dimethylpyrazol-4-yl]-5-fluoro-4-pyridinyl]oxy]azetidin-1-yl]-[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]methanone
CID 163857139

Frequently Asked Questions

What is the IUPAC name of [3-[[2-(2-ethylpyrazol-3-yl)-5-fluoro-4-pyridinyl]oxy]azetidin-1-yl]-[3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]methanone?
The IUPAC name of [3-[[2-(2-ethylpyrazol-3-yl)-5-fluoro-4-pyridinyl]oxy]azetidin-1-yl]-[3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]methanone (CID 167187511) is [3-[[2-(2-ethylpyrazol-3-yl)-5-fluoro-4-pyridinyl]oxy]azetidin-1-yl]-[3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]methanone.
What is the SMILES notation for [3-[[2-(2-ethylpyrazol-3-yl)-5-fluoro-4-pyridinyl]oxy]azetidin-1-yl]-[3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]methanone?
The canonical SMILES for [3-[[2-(2-ethylpyrazol-3-yl)-5-fluoro-4-pyridinyl]oxy]azetidin-1-yl]-[3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]methanone is CCn1nccc1-c1cc(OC2CN(C(=O)N3N=CCC3c3cncc(F)c3)C2)c(F)cn1.
What is the InChIKey of [3-[[2-(2-ethylpyrazol-3-yl)-5-fluoro-4-pyridinyl]oxy]azetidin-1-yl]-[3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]methanone?
The InChIKey is NPPAWAIWDVKVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2N7O2/c1-2-30-20(4-5-27-30)18-8-21(17(24)11-26-18)33-16-12-29(13-16)22(32)31-19(3-6-28-31)14-7-15(23)10-25-9-14/h4-11,16,19H,2-3,12-13H2,1H3.
What are the key properties of [3-[[2-(2-ethylpyrazol-3-yl)-5-fluoro-4-pyridinyl]oxy]azetidin-1-yl]-[3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]methanone?
[3-[[2-(2-ethylpyrazol-3-yl)-5-fluoro-4-pyridinyl]oxy]azetidin-1-yl]-[3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]methanone has a molecular weight of 453.45 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[2-(2-ethylpyrazol-3-yl)-5-fluoro-4-pyridinyl]oxy]azetidin-1-yl]-[3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]methanone is sourced from PubChem (CID 167187511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).