3-[3-(trifluoromethyl)anilino]-2-(3,4,5-trimethoxyphenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile

C22H18F3N5O3 — CID 67284781

IUPAC3-[3-(trifluoromethyl)anilino]-2-(3,4,5-trimethoxyphenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile
SMILESCOc1cc(-c2nc3c(C#N)c[nH]n3c2Nc2cccc(C(F)(F)F)c2)cc(OC)c1OC
InChIInChI=1S/C22H18F3N5O3/c1-31-16-7-12(8-17(32-2)19(16)33-3)18-21(30-20(29-18)13(10-26)11-27-30)28-15-6-4-5-14(9-15)22(23,24)25/h4-9,11,27-28H,1-3H3
InChIKeyZDHSTBBOHCFMJC-UHFFFAOYSA-N
MW457.41 g/mol
LogP4.99
Rot. Bonds6

About 3-[3-(trifluoromethyl)anilino]-2-(3,4,5-trimethoxyphenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile

3-[3-(trifluoromethyl)anilino]-2-(3,4,5-trimethoxyphenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile (PubChem CID 67284781) has the molecular formula C22H18F3N5O3 and a molecular weight of 457.41 g/mol. Its IUPAC name is 3-[3-(trifluoromethyl)anilino]-2-(3,4,5-trimethoxyphenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile.

Molecular Properties

Compound Name3-[3-(trifluoromethyl)anilino]-2-(3,4,5-trimethoxyphenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile
PubChem CID67284781
Molecular FormulaC22H18F3N5O3
Molecular Weight457.41 g/mol
Exact Mass457.14
IUPAC Name3-[3-(trifluoromethyl)anilino]-2-(3,4,5-trimethoxyphenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile
SMILESCOc1cc(-c2nc3c(C#N)c[nH]n3c2Nc2cccc(C(F)(F)F)c2)cc(OC)c1OC
InChIInChI=1S/C22H18F3N5O3/c1-31-16-7-12(8-17(32-2)19(16)33-3)18-21(30-20(29-18)13(10-26)11-27-30)28-15-6-4-5-14(9-15)22(23,24)25/h4-9,11,27-28H,1-3H3
InChIKeyZDHSTBBOHCFMJC-UHFFFAOYSA-N
XLogP4.99
TPSA96.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.41
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[4-fluoro-3-(trifluoromethyl)anilino]-2-(3,4,5-trimethoxyphenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile
CID 67285051
3-(4-chloro-3-methoxyanilino)-2-(3,4,5-trimethoxyphenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile
CID 67285265
3-(2,4-dimethylanilino)-2-(3,4,5-trimethoxyphenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile
CID 67285157
tert-butyl-[[4-[[7-cyano-2-(3,4,5-trimethoxyphenyl)-5H-imidazo[1,2-b]pyrazol-3-yl]amino]phenyl]methyl]carbamic acid
CID 126736338
3-[1-(3-methylphenyl)propan-2-ylamino]-2-(3,4,5-trimethoxyphenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile
CID 91280291
3-(piperidin-4-ylmethylamino)-2-(3,4,5-trimethoxyphenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile
CID 67285799
N-[3-(trifluoromethyl)phenyl]-4-(3,4,5-trimethoxyphenyl)pyridin-2-amine
CID 10158076
3-(2,4-dimethoxyanilino)-2-(6-methyl-2-pyridinyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile
CID 67286044
methyl 4-[[7-cyano-2-(4-methylsulfanylphenyl)-5H-imidazo[1,2-b]pyrazol-3-yl]amino]benzoate
CID 67284900
methyl 4-[(7-cyano-2-pyridin-2-yl-5H-imidazo[1,2-b]pyrazol-3-yl)amino]benzoate
CID 67284094
2-(4-chlorophenyl)-3-(2,4-dimethylanilino)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile
CID 67284251
2-methyl-4-[3-(trifluoromethyl)anilino]benzonitrile
CID 81278129

Frequently Asked Questions

What is the IUPAC name of 3-[3-(trifluoromethyl)anilino]-2-(3,4,5-trimethoxyphenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile?
The IUPAC name of 3-[3-(trifluoromethyl)anilino]-2-(3,4,5-trimethoxyphenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile (CID 67284781) is 3-[3-(trifluoromethyl)anilino]-2-(3,4,5-trimethoxyphenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile.
What is the SMILES notation for 3-[3-(trifluoromethyl)anilino]-2-(3,4,5-trimethoxyphenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile?
The canonical SMILES for 3-[3-(trifluoromethyl)anilino]-2-(3,4,5-trimethoxyphenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile is COc1cc(-c2nc3c(C#N)c[nH]n3c2Nc2cccc(C(F)(F)F)c2)cc(OC)c1OC.
What is the InChIKey of 3-[3-(trifluoromethyl)anilino]-2-(3,4,5-trimethoxyphenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile?
The InChIKey is ZDHSTBBOHCFMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N5O3/c1-31-16-7-12(8-17(32-2)19(16)33-3)18-21(30-20(29-18)13(10-26)11-27-30)28-15-6-4-5-14(9-15)22(23,24)25/h4-9,11,27-28H,1-3H3.
What are the key properties of 3-[3-(trifluoromethyl)anilino]-2-(3,4,5-trimethoxyphenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile?
3-[3-(trifluoromethyl)anilino]-2-(3,4,5-trimethoxyphenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile has a molecular weight of 457.41 g/mol, XLogP of 4.99, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(trifluoromethyl)anilino]-2-(3,4,5-trimethoxyphenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile is sourced from PubChem (CID 67284781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).