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

C22H20ClN5O4 — CID 67285265

IUPAC3-(4-chloro-3-methoxyanilino)-2-(3,4,5-trimethoxyphenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile
SMILESCOc1cc(Nc2c(-c3cc(OC)c(OC)c(OC)c3)nc3c(C#N)c[nH]n23)ccc1Cl
InChIInChI=1S/C22H20ClN5O4/c1-29-16-9-14(5-6-15(16)23)26-22-19(27-21-13(10-24)11-25-28(21)22)12-7-17(30-2)20(32-4)18(8-12)31-3/h5-9,11,25-26H,1-4H3
InChIKeyMWJKQRDUZLJXFC-UHFFFAOYSA-N
MW453.89 g/mol
LogP4.63
Rot. Bonds7

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

3-(4-chloro-3-methoxyanilino)-2-(3,4,5-trimethoxyphenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile (PubChem CID 67285265) has the molecular formula C22H20ClN5O4 and a molecular weight of 453.89 g/mol. Its IUPAC name is 3-(4-chloro-3-methoxyanilino)-2-(3,4,5-trimethoxyphenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile.

Molecular Properties

Compound Name3-(4-chloro-3-methoxyanilino)-2-(3,4,5-trimethoxyphenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile
PubChem CID67285265
Molecular FormulaC22H20ClN5O4
Molecular Weight453.89 g/mol
Exact Mass453.12
IUPAC Name3-(4-chloro-3-methoxyanilino)-2-(3,4,5-trimethoxyphenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile
SMILESCOc1cc(Nc2c(-c3cc(OC)c(OC)c(OC)c3)nc3c(C#N)c[nH]n23)ccc1Cl
InChIInChI=1S/C22H20ClN5O4/c1-29-16-9-14(5-6-15(16)23)26-22-19(27-21-13(10-24)11-25-28(21)22)12-7-17(30-2)20(32-4)18(8-12)31-3/h5-9,11,25-26H,1-4H3
InChIKeyMWJKQRDUZLJXFC-UHFFFAOYSA-N
XLogP4.63
TPSA105.83 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.89
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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-[3-(trifluoromethyl)anilino]-2-(3,4,5-trimethoxyphenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile
CID 67284781
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-(piperidin-4-ylmethylamino)-2-(3,4,5-trimethoxyphenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile
CID 67285799
3-[1-(3-methylphenyl)propan-2-ylamino]-2-(3,4,5-trimethoxyphenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile
CID 91280291
5-(4-chloro-3-methoxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 90109319
2-(3,4-dichlorophenyl)-3-(2,4-dimethylanilino)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile
CID 67284290
methyl 4-[(7-cyano-2-phenyl-5H-imidazo[1,2-b]pyrazol-3-yl)amino]benzoate
CID 67285242
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
4-chloro-2-(4-chloro-3-methoxyanilino)benzonitrile
CID 107621927

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3-methoxyanilino)-2-(3,4,5-trimethoxyphenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile?
The IUPAC name of 3-(4-chloro-3-methoxyanilino)-2-(3,4,5-trimethoxyphenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile (CID 67285265) is 3-(4-chloro-3-methoxyanilino)-2-(3,4,5-trimethoxyphenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile.
What is the SMILES notation for 3-(4-chloro-3-methoxyanilino)-2-(3,4,5-trimethoxyphenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile?
The canonical SMILES for 3-(4-chloro-3-methoxyanilino)-2-(3,4,5-trimethoxyphenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile is COc1cc(Nc2c(-c3cc(OC)c(OC)c(OC)c3)nc3c(C#N)c[nH]n23)ccc1Cl.
What is the InChIKey of 3-(4-chloro-3-methoxyanilino)-2-(3,4,5-trimethoxyphenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile?
The InChIKey is MWJKQRDUZLJXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN5O4/c1-29-16-9-14(5-6-15(16)23)26-22-19(27-21-13(10-24)11-25-28(21)22)12-7-17(30-2)20(32-4)18(8-12)31-3/h5-9,11,25-26H,1-4H3.
What are the key properties of 3-(4-chloro-3-methoxyanilino)-2-(3,4,5-trimethoxyphenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile?
3-(4-chloro-3-methoxyanilino)-2-(3,4,5-trimethoxyphenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile has a molecular weight of 453.89 g/mol, XLogP of 4.63, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3-methoxyanilino)-2-(3,4,5-trimethoxyphenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile is sourced from PubChem (CID 67285265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).