3-[2-[3-[(3,5-difluoro-2H-indazol-6-yl)oxy]azetidine-1-carbonyl]-3,4-dihydropyrazol-3-yl]-5-fluorobenzonitrile

C21H15F3N6O2 — CID 166747333

IUPAC3-[2-[3-[(3,5-difluoro-2H-indazol-6-yl)oxy]azetidine-1-carbonyl]-3,4-dihydropyrazol-3-yl]-5-fluorobenzonitrile
SMILESN#Cc1cc(F)cc(C2CC=NN2C(=O)N2CC(Oc3cc4n[nH]c(F)c4cc3F)C2)c1
InChIInChI=1S/C21H15F3N6O2/c22-13-4-11(8-25)3-12(5-13)18-1-2-26-30(18)21(31)29-9-14(10-29)32-19-7-17-15(6-16(19)23)20(24)28-27-17/h2-7,14,18H,1,9-10H2,(H,27,28)
InChIKeyBYBUUWLHUBZKOR-UHFFFAOYSA-N
MW440.39 g/mol
LogP3.47
Rot. Bonds3

About 3-[2-[3-[(3,5-difluoro-2H-indazol-6-yl)oxy]azetidine-1-carbonyl]-3,4-dihydropyrazol-3-yl]-5-fluorobenzonitrile

3-[2-[3-[(3,5-difluoro-2H-indazol-6-yl)oxy]azetidine-1-carbonyl]-3,4-dihydropyrazol-3-yl]-5-fluorobenzonitrile (PubChem CID 166747333) has the molecular formula C21H15F3N6O2 and a molecular weight of 440.39 g/mol. Its IUPAC name is 3-[2-[3-[(3,5-difluoro-2H-indazol-6-yl)oxy]azetidine-1-carbonyl]-3,4-dihydropyrazol-3-yl]-5-fluorobenzonitrile.

Molecular Properties

Compound Name3-[2-[3-[(3,5-difluoro-2H-indazol-6-yl)oxy]azetidine-1-carbonyl]-3,4-dihydropyrazol-3-yl]-5-fluorobenzonitrile
PubChem CID166747333
Molecular FormulaC21H15F3N6O2
Molecular Weight440.39 g/mol
Exact Mass440.12
IUPAC Name3-[2-[3-[(3,5-difluoro-2H-indazol-6-yl)oxy]azetidine-1-carbonyl]-3,4-dihydropyrazol-3-yl]-5-fluorobenzonitrile
SMILESN#Cc1cc(F)cc(C2CC=NN2C(=O)N2CC(Oc3cc4n[nH]c(F)c4cc3F)C2)c1
InChIInChI=1S/C21H15F3N6O2/c22-13-4-11(8-25)3-12(5-13)18-1-2-26-30(18)21(31)29-9-14(10-29)32-19-7-17-15(6-16(19)23)20(24)28-27-17/h2-7,14,18H,1,9-10H2,(H,27,28)
InChIKeyBYBUUWLHUBZKOR-UHFFFAOYSA-N
XLogP3.47
TPSA97.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.39
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[2-[3-[(3,5-difluoro-2H-indazol-6-yl)oxy]azetidine-1-carbonyl]-3,4-dihydropyrazol-3-yl]-5-fluorobenzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(3S)-2-[3-[(3,5-difluoro-2H-indazol-6-yl)methylidene]azetidine-1-carbonyl]-3,4-dihydropyrazol-3-yl]-5-fluorobenzonitrile
CID 151936818
3-[2-[3-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)-5-fluoro-4-pyridinyl]oxy]azetidine-1-carbonyl]-3,4-dihydropyrazol-3-yl]-5-fluorobenzonitrile
CID 175507697
3-fluoro-5-[(3S)-2-[3-[[5-fluoro-2-(1,3,5-trimethylpyrazol-4-yl)-4-pyridinyl]oxy]azetidine-1-carbonyl]-3,4-dihydropyrazol-3-yl]benzonitrile
CID 167187784
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
6-(azetidin-3-yloxy)-3,5-difluoro-2H-indazole;[3-[(3,5-difluoro-2H-indazol-6-yl)oxy]azetidin-1-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone;imidazol-1-yl-[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone;sulfane
CID 159317923
[3-(5-bromo-2-fluorophenoxy)azetidin-1-yl]-[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]methanone
CID 166857503
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
[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-(2,5-difluorophenoxy)azetidin-1-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone
CID 150722383
[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-(2-methylphenoxy)azetidin-1-yl]methanone
CID 162385915
6-[1-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]azetidin-3-yl]oxy-2-[2-(dimethylamino)ethyl]-7-fluoro-4H-1,4-benzoxazin-3-one
CID 166747305
[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(3,5-difluoro-2-pyridinyl)oxy]azetidin-1-yl]methanone
CID 151475313

Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-[(3,5-difluoro-2H-indazol-6-yl)oxy]azetidine-1-carbonyl]-3,4-dihydropyrazol-3-yl]-5-fluorobenzonitrile?
The IUPAC name of 3-[2-[3-[(3,5-difluoro-2H-indazol-6-yl)oxy]azetidine-1-carbonyl]-3,4-dihydropyrazol-3-yl]-5-fluorobenzonitrile (CID 166747333) is 3-[2-[3-[(3,5-difluoro-2H-indazol-6-yl)oxy]azetidine-1-carbonyl]-3,4-dihydropyrazol-3-yl]-5-fluorobenzonitrile.
What is the SMILES notation for 3-[2-[3-[(3,5-difluoro-2H-indazol-6-yl)oxy]azetidine-1-carbonyl]-3,4-dihydropyrazol-3-yl]-5-fluorobenzonitrile?
The canonical SMILES for 3-[2-[3-[(3,5-difluoro-2H-indazol-6-yl)oxy]azetidine-1-carbonyl]-3,4-dihydropyrazol-3-yl]-5-fluorobenzonitrile is N#Cc1cc(F)cc(C2CC=NN2C(=O)N2CC(Oc3cc4n[nH]c(F)c4cc3F)C2)c1.
What is the InChIKey of 3-[2-[3-[(3,5-difluoro-2H-indazol-6-yl)oxy]azetidine-1-carbonyl]-3,4-dihydropyrazol-3-yl]-5-fluorobenzonitrile?
The InChIKey is BYBUUWLHUBZKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N6O2/c22-13-4-11(8-25)3-12(5-13)18-1-2-26-30(18)21(31)29-9-14(10-29)32-19-7-17-15(6-16(19)23)20(24)28-27-17/h2-7,14,18H,1,9-10H2,(H,27,28).
What are the key properties of 3-[2-[3-[(3,5-difluoro-2H-indazol-6-yl)oxy]azetidine-1-carbonyl]-3,4-dihydropyrazol-3-yl]-5-fluorobenzonitrile?
3-[2-[3-[(3,5-difluoro-2H-indazol-6-yl)oxy]azetidine-1-carbonyl]-3,4-dihydropyrazol-3-yl]-5-fluorobenzonitrile has a molecular weight of 440.39 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-[(3,5-difluoro-2H-indazol-6-yl)oxy]azetidine-1-carbonyl]-3,4-dihydropyrazol-3-yl]-5-fluorobenzonitrile is sourced from PubChem (CID 166747333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).