3-[[2-[2-[1-[(2-amino-5-bromo-3-pyridinyl)oxy]ethyl]-4-fluorophenyl]pyrazol-3-yl]-hydroxymethyl]-1-methylpyrazole-5-carbonitrile

C22H19BrFN7O2 — CID 164719260

IUPAC3-[[2-[2-[1-[(2-amino-5-bromo-3-pyridinyl)oxy]ethyl]-4-fluorophenyl]pyrazol-3-yl]-hydroxymethyl]-1-methylpyrazole-5-carbonitrile
SMILESCC(Oc1cc(Br)cnc1N)c1cc(F)ccc1-n1nccc1C(O)c1cc(C#N)n(C)n1
InChIInChI=1S/C22H19BrFN7O2/c1-12(33-20-7-13(23)11-27-22(20)26)16-8-14(24)3-4-18(16)31-19(5-6-28-31)21(32)17-9-15(10-25)30(2)29-17/h3-9,11-12,21,32H,1-2H3,(H2,26,27)
InChIKeyVJDSXSZRYPARCB-UHFFFAOYSA-N
MW512.34 g/mol
LogP3.58
Rot. Bonds6

About 3-[[2-[2-[1-[(2-amino-5-bromo-3-pyridinyl)oxy]ethyl]-4-fluorophenyl]pyrazol-3-yl]-hydroxymethyl]-1-methylpyrazole-5-carbonitrile

3-[[2-[2-[1-[(2-amino-5-bromo-3-pyridinyl)oxy]ethyl]-4-fluorophenyl]pyrazol-3-yl]-hydroxymethyl]-1-methylpyrazole-5-carbonitrile (PubChem CID 164719260) has the molecular formula C22H19BrFN7O2 and a molecular weight of 512.34 g/mol. Its IUPAC name is 3-[[2-[2-[1-[(2-amino-5-bromo-3-pyridinyl)oxy]ethyl]-4-fluorophenyl]pyrazol-3-yl]-hydroxymethyl]-1-methylpyrazole-5-carbonitrile.

Molecular Properties

Compound Name3-[[2-[2-[1-[(2-amino-5-bromo-3-pyridinyl)oxy]ethyl]-4-fluorophenyl]pyrazol-3-yl]-hydroxymethyl]-1-methylpyrazole-5-carbonitrile
PubChem CID164719260
Molecular FormulaC22H19BrFN7O2
Molecular Weight512.34 g/mol
Exact Mass511.08
IUPAC Name3-[[2-[2-[1-[(2-amino-5-bromo-3-pyridinyl)oxy]ethyl]-4-fluorophenyl]pyrazol-3-yl]-hydroxymethyl]-1-methylpyrazole-5-carbonitrile
SMILESCC(Oc1cc(Br)cnc1N)c1cc(F)ccc1-n1nccc1C(O)c1cc(C#N)n(C)n1
InChIInChI=1S/C22H19BrFN7O2/c1-12(33-20-7-13(23)11-27-22(20)26)16-8-14(24)3-4-18(16)31-19(5-6-28-31)21(32)17-9-15(10-25)30(2)29-17/h3-9,11-12,21,32H,1-2H3,(H2,26,27)
InChIKeyVJDSXSZRYPARCB-UHFFFAOYSA-N
XLogP3.58
TPSA127.80 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.34
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 3-[[2-[2-[1-[(2-amino-5-bromo-3-pyridinyl)oxy]ethyl]-4-fluorophenyl]pyrazol-3-yl]-hydroxymethyl]-1-methylpyrazole-5-carbonitrile 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-[[2-[2-[1-[(5-bromo-2-nitro-3-pyridinyl)oxy]ethyl]-4-fluorophenyl]pyrazol-3-yl]-hydroxymethyl]-1-methylpyrazole-5-carbonitrile
CID 164719207
5-bromo-3-[(1S)-1-(2-chloro-5-fluorophenyl)ethoxy]pyridin-2-amine
CID 129395748
5-bromo-3-[(1R)-1-(2-chloro-5-fluorophenyl)ethoxy]pyridin-2-amine
CID 129395746
CID 167387774
CID 167387774
5-[1-[3-[2-[(1R)-1-[(2-amino-5-bromo-3-pyridinyl)oxy]ethyl]-4-fluorophenyl]-1-methylpyrazol-4-yl]ethenyl]-1-methylpyrazole-3-carbonitrile
CID 178128933
5-bromo-3-[(1R)-1-(6-fluoroquinolin-8-yl)ethoxy]pyridin-2-amine
CID 124675155
1-[[3-[2-[1-[(2-amino-5-bromo-3-pyridinyl)oxy]ethyl]-4-fluorophenyl]pyrazin-2-yl]methyl]imidazole-4-carbonitrile
CID 175401159
2-[(1R)-1-[[5-bromo-2-(diacetylamino)-3-pyridinyl]oxy]ethyl]-N-[(5-cyano-1-methylpyrazol-3-yl)methyl]-4-fluoro-N-methylbenzamide
CID 134950184
2-[1-[[2-amino-5-[5-cyano-1-methyl-3-(methylaminooxy)pyrazol-4-yl]-3-pyridinyl]oxy]ethyl]-4-fluorobenzoic acid
CID 123825714
[6-amino-5-[1-(2-methylpyrazol-3-yl)ethoxy]-3-pyridinyl]boronic acid
CID 164859066
5-bromo-3-[1-(2-methoxyphenyl)ethoxy]pyridin-2-amine
CID 170429337
sodium;(19R)-22-amino-16-fluoro-4,19-dimethyl-7,20-dioxa-4,5,11,12,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,8,10,13(18),14,16,21,23-decaene-3-carbonitrile;4-[6-amino-5-[(1R)-1-[5-fluoro-2-(3-oxo-1H-pyrazol-2-yl)phenyl]ethoxy]-3-pyridinyl]-5-bromo-2-methylpyrazole-3-carbonitrile;hydride
CID 162171924

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[2-[1-[(2-amino-5-bromo-3-pyridinyl)oxy]ethyl]-4-fluorophenyl]pyrazol-3-yl]-hydroxymethyl]-1-methylpyrazole-5-carbonitrile?
The IUPAC name of 3-[[2-[2-[1-[(2-amino-5-bromo-3-pyridinyl)oxy]ethyl]-4-fluorophenyl]pyrazol-3-yl]-hydroxymethyl]-1-methylpyrazole-5-carbonitrile (CID 164719260) is 3-[[2-[2-[1-[(2-amino-5-bromo-3-pyridinyl)oxy]ethyl]-4-fluorophenyl]pyrazol-3-yl]-hydroxymethyl]-1-methylpyrazole-5-carbonitrile.
What is the SMILES notation for 3-[[2-[2-[1-[(2-amino-5-bromo-3-pyridinyl)oxy]ethyl]-4-fluorophenyl]pyrazol-3-yl]-hydroxymethyl]-1-methylpyrazole-5-carbonitrile?
The canonical SMILES for 3-[[2-[2-[1-[(2-amino-5-bromo-3-pyridinyl)oxy]ethyl]-4-fluorophenyl]pyrazol-3-yl]-hydroxymethyl]-1-methylpyrazole-5-carbonitrile is CC(Oc1cc(Br)cnc1N)c1cc(F)ccc1-n1nccc1C(O)c1cc(C#N)n(C)n1.
What is the InChIKey of 3-[[2-[2-[1-[(2-amino-5-bromo-3-pyridinyl)oxy]ethyl]-4-fluorophenyl]pyrazol-3-yl]-hydroxymethyl]-1-methylpyrazole-5-carbonitrile?
The InChIKey is VJDSXSZRYPARCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrFN7O2/c1-12(33-20-7-13(23)11-27-22(20)26)16-8-14(24)3-4-18(16)31-19(5-6-28-31)21(32)17-9-15(10-25)30(2)29-17/h3-9,11-12,21,32H,1-2H3,(H2,26,27).
What are the key properties of 3-[[2-[2-[1-[(2-amino-5-bromo-3-pyridinyl)oxy]ethyl]-4-fluorophenyl]pyrazol-3-yl]-hydroxymethyl]-1-methylpyrazole-5-carbonitrile?
3-[[2-[2-[1-[(2-amino-5-bromo-3-pyridinyl)oxy]ethyl]-4-fluorophenyl]pyrazol-3-yl]-hydroxymethyl]-1-methylpyrazole-5-carbonitrile has a molecular weight of 512.34 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[2-[1-[(2-amino-5-bromo-3-pyridinyl)oxy]ethyl]-4-fluorophenyl]pyrazol-3-yl]-hydroxymethyl]-1-methylpyrazole-5-carbonitrile is sourced from PubChem (CID 164719260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).