[5-[3-(2-chloroanilino)-7-cyano-5H-imidazo[1,2-b]pyrazol-2-yl]furan-2-yl]methyl acetate

C19H14ClN5O3 — CID 67285577

IUPAC[5-[3-(2-chloroanilino)-7-cyano-5H-imidazo[1,2-b]pyrazol-2-yl]furan-2-yl]methyl acetate
SMILESCC(=O)OCc1ccc(-c2nc3c(C#N)c[nH]n3c2Nc2ccccc2Cl)o1
InChIInChI=1S/C19H14ClN5O3/c1-11(26)27-10-13-6-7-16(28-13)17-19(23-15-5-3-2-4-14(15)20)25-18(24-17)12(8-21)9-22-25/h2-7,9,22-23H,10H2,1H3
InChIKeyCTLUWMZASSLSNV-UHFFFAOYSA-N
MW395.81 g/mol
LogP4.25
Rot. Bonds5

About [5-[3-(2-chloroanilino)-7-cyano-5H-imidazo[1,2-b]pyrazol-2-yl]furan-2-yl]methyl acetate

[5-[3-(2-chloroanilino)-7-cyano-5H-imidazo[1,2-b]pyrazol-2-yl]furan-2-yl]methyl acetate (PubChem CID 67285577) has the molecular formula C19H14ClN5O3 and a molecular weight of 395.81 g/mol. Its IUPAC name is [5-[3-(2-chloroanilino)-7-cyano-5H-imidazo[1,2-b]pyrazol-2-yl]furan-2-yl]methyl acetate.

Molecular Properties

Compound Name[5-[3-(2-chloroanilino)-7-cyano-5H-imidazo[1,2-b]pyrazol-2-yl]furan-2-yl]methyl acetate
PubChem CID67285577
Molecular FormulaC19H14ClN5O3
Molecular Weight395.81 g/mol
Exact Mass395.08
IUPAC Name[5-[3-(2-chloroanilino)-7-cyano-5H-imidazo[1,2-b]pyrazol-2-yl]furan-2-yl]methyl acetate
SMILESCC(=O)OCc1ccc(-c2nc3c(C#N)c[nH]n3c2Nc2ccccc2Cl)o1
InChIInChI=1S/C19H14ClN5O3/c1-11(26)27-10-13-6-7-16(28-13)17-19(23-15-5-3-2-4-14(15)20)25-18(24-17)12(8-21)9-22-25/h2-7,9,22-23H,10H2,1H3
InChIKeyCTLUWMZASSLSNV-UHFFFAOYSA-N
XLogP4.25
TPSA108.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.81
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-(2-chloroanilino)-2-(2-fluorophenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile
CID 67284607
methyl 4-[(7-cyano-2-phenyl-5H-imidazo[1,2-b]pyrazol-3-yl)amino]benzoate
CID 67285242
2-(3,4-dichlorophenyl)-3-(2,4-dimethylanilino)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile
CID 67284290
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
methyl 4-[[7-cyano-2-(4-methylsulfanylphenyl)-5H-imidazo[1,2-b]pyrazol-3-yl]amino]benzoate
CID 67284900
3-(2,4-dimethoxyanilino)-2-(6-methyl-2-pyridinyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile
CID 67286044
6-(1-hydroxypropan-2-yl)-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 90454701
3-(2,4-dimethylanilino)-2-(3,4,5-trimethoxyphenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile
CID 67285157
7-oxo-5-phenyl-6-prop-2-ynyl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 90420023
methyl 5-amino-6-(2-chloroanilino)pyridine-2-carboxylate
CID 114405187
2-[[6-(2-chloroanilino)-2-methylpyrimidin-4-yl]amino]benzonitrile
CID 112877966

Frequently Asked Questions

What is the IUPAC name of [5-[3-(2-chloroanilino)-7-cyano-5H-imidazo[1,2-b]pyrazol-2-yl]furan-2-yl]methyl acetate?
The IUPAC name of [5-[3-(2-chloroanilino)-7-cyano-5H-imidazo[1,2-b]pyrazol-2-yl]furan-2-yl]methyl acetate (CID 67285577) is [5-[3-(2-chloroanilino)-7-cyano-5H-imidazo[1,2-b]pyrazol-2-yl]furan-2-yl]methyl acetate.
What is the SMILES notation for [5-[3-(2-chloroanilino)-7-cyano-5H-imidazo[1,2-b]pyrazol-2-yl]furan-2-yl]methyl acetate?
The canonical SMILES for [5-[3-(2-chloroanilino)-7-cyano-5H-imidazo[1,2-b]pyrazol-2-yl]furan-2-yl]methyl acetate is CC(=O)OCc1ccc(-c2nc3c(C#N)c[nH]n3c2Nc2ccccc2Cl)o1.
What is the InChIKey of [5-[3-(2-chloroanilino)-7-cyano-5H-imidazo[1,2-b]pyrazol-2-yl]furan-2-yl]methyl acetate?
The InChIKey is CTLUWMZASSLSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN5O3/c1-11(26)27-10-13-6-7-16(28-13)17-19(23-15-5-3-2-4-14(15)20)25-18(24-17)12(8-21)9-22-25/h2-7,9,22-23H,10H2,1H3.
What are the key properties of [5-[3-(2-chloroanilino)-7-cyano-5H-imidazo[1,2-b]pyrazol-2-yl]furan-2-yl]methyl acetate?
[5-[3-(2-chloroanilino)-7-cyano-5H-imidazo[1,2-b]pyrazol-2-yl]furan-2-yl]methyl acetate has a molecular weight of 395.81 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[3-(2-chloroanilino)-7-cyano-5H-imidazo[1,2-b]pyrazol-2-yl]furan-2-yl]methyl acetate is sourced from PubChem (CID 67285577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).