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

C24H21F2N7O2 — CID 175507697

IUPAC3-[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
SMILESCc1n[nH]c(C)c1-c1cc(OC2CN(C(=O)N3N=CCC3c3cc(F)cc(C#N)c3)C2)c(F)cn1
InChIInChI=1S/C24H21F2N7O2/c1-13-23(14(2)31-30-13)20-8-22(19(26)10-28-20)35-18-11-32(12-18)24(34)33-21(3-4-29-33)16-5-15(9-27)6-17(25)7-16/h4-8,10,18,21H,3,11-12H2,1-2H3,(H,30,31)
InChIKeyKIWHQCCBAPFAAL-UHFFFAOYSA-N
MW477.48 g/mol
LogP3.85
Rot. Bonds4

About 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

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 (PubChem CID 175507697) has the molecular formula C24H21F2N7O2 and a molecular weight of 477.48 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[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
PubChem CID175507697
Molecular FormulaC24H21F2N7O2
Molecular Weight477.48 g/mol
Exact Mass477.17
IUPAC Name3-[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
SMILESCc1n[nH]c(C)c1-c1cc(OC2CN(C(=O)N3N=CCC3c3cc(F)cc(C#N)c3)C2)c(F)cn1
InChIInChI=1S/C24H21F2N7O2/c1-13-23(14(2)31-30-13)20-8-22(19(26)10-28-20)35-18-11-32(12-18)24(34)33-21(3-4-29-33)16-5-15(9-27)6-17(25)7-16/h4-8,10,18,21H,3,11-12H2,1-2H3,(H,30,31)
InChIKeyKIWHQCCBAPFAAL-UHFFFAOYSA-N
XLogP3.85
TPSA110.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.48
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

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
3-[2-[3-[(3,5-difluoro-2H-indazol-6-yl)oxy]azetidine-1-carbonyl]-3,4-dihydropyrazol-3-yl]-5-fluorobenzonitrile
CID 166747333
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-[[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
[(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
[(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
5-[(3S)-2-[3-[[2-(1,4-dimethylpyrazol-5-yl)-5-fluoro-4-pyridinyl]oxy]azetidine-1-carbonyl]-3,4-dihydropyrazol-3-yl]pyridine-3-carbonitrile
CID 167187959
[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-(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
[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
[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[[5-fluoro-2-(3,4,5-trimethylpyrazol-1-yl)-4-pyridinyl]oxy]azetidin-1-yl]methanone
CID 166857491

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1n[nH]c(C)c1-c1cc(OC2CN(C(=O)N3N=CCC3c3cc(F)cc(C#N)c3)C2)c(F)cn1.
What is the InChIKey of 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?
The InChIKey is KIWHQCCBAPFAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N7O2/c1-13-23(14(2)31-30-13)20-8-22(19(26)10-28-20)35-18-11-32(12-18)24(34)33-21(3-4-29-33)16-5-15(9-27)6-17(25)7-16/h4-8,10,18,21H,3,11-12H2,1-2H3,(H,30,31).
What are the key properties of 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?
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 has a molecular weight of 477.48 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 175507697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).