3-[1-(3-methylphenyl)propan-2-ylamino]-2-(3,4,5-trimethoxyphenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile

C25H27N5O3 — CID 91280291

IUPAC3-[1-(3-methylphenyl)propan-2-ylamino]-2-(3,4,5-trimethoxyphenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile
SMILESCOc1cc(-c2nc3c(C#N)c[nH]n3c2NC(C)Cc2cccc(C)c2)cc(OC)c1OC
InChIInChI=1S/C25H27N5O3/c1-15-7-6-8-17(9-15)10-16(2)28-25-22(29-24-19(13-26)14-27-30(24)25)18-11-20(31-3)23(33-5)21(12-18)32-4/h6-9,11-12,14,16,27-28H,10H2,1-5H3
InChIKeyXEXXUAQVJQIJEC-UHFFFAOYSA-N
MW445.52 g/mol
LogP4.58
Rot. Bonds8

About 3-[1-(3-methylphenyl)propan-2-ylamino]-2-(3,4,5-trimethoxyphenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile

3-[1-(3-methylphenyl)propan-2-ylamino]-2-(3,4,5-trimethoxyphenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile (PubChem CID 91280291) has the molecular formula C25H27N5O3 and a molecular weight of 445.52 g/mol. Its IUPAC name is 3-[1-(3-methylphenyl)propan-2-ylamino]-2-(3,4,5-trimethoxyphenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile.

Molecular Properties

Compound Name3-[1-(3-methylphenyl)propan-2-ylamino]-2-(3,4,5-trimethoxyphenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile
PubChem CID91280291
Molecular FormulaC25H27N5O3
Molecular Weight445.52 g/mol
Exact Mass445.21
IUPAC Name3-[1-(3-methylphenyl)propan-2-ylamino]-2-(3,4,5-trimethoxyphenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile
SMILESCOc1cc(-c2nc3c(C#N)c[nH]n3c2NC(C)Cc2cccc(C)c2)cc(OC)c1OC
InChIInChI=1S/C25H27N5O3/c1-15-7-6-8-17(9-15)10-16(2)28-25-22(29-24-19(13-26)14-27-30(24)25)18-11-20(31-3)23(33-5)21(12-18)32-4/h6-9,11-12,14,16,27-28H,10H2,1-5H3
InChIKeyXEXXUAQVJQIJEC-UHFFFAOYSA-N
XLogP4.58
TPSA96.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-(2,4-dimethylanilino)-2-(3,4,5-trimethoxyphenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile
CID 67285157
3-[3-(trifluoromethyl)anilino]-2-(3,4,5-trimethoxyphenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile
CID 67284781
3-(4-chloro-3-methoxyanilino)-2-(3,4,5-trimethoxyphenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile
CID 67285265
3-(piperidin-4-ylmethylamino)-2-(3,4,5-trimethoxyphenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile
CID 67285799
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-[4-fluoro-3-(trifluoromethyl)anilino]-2-(3,4,5-trimethoxyphenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile
CID 67285051
3-(cyclopentylamino)-2-(3-methylphenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile
CID 22510239
3-(2,4-dimethoxyanilino)-2-(6-methyl-2-pyridinyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile
CID 67286044
5-(3,4-dimethoxyphenyl)-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 90454687
2-(4-chlorophenyl)-3-(2,4-dimethylanilino)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile
CID 67284251
5-[3-(hydroxymethyl)phenyl]-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 90454579
3-[(3-methylphenyl)methyl]-5-(3,4,5-trimethoxyphenyl)-1H-imidazo[4,5-b]pyrazin-2-one
CID 11647142

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-methylphenyl)propan-2-ylamino]-2-(3,4,5-trimethoxyphenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile?
The IUPAC name of 3-[1-(3-methylphenyl)propan-2-ylamino]-2-(3,4,5-trimethoxyphenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile (CID 91280291) is 3-[1-(3-methylphenyl)propan-2-ylamino]-2-(3,4,5-trimethoxyphenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile.
What is the SMILES notation for 3-[1-(3-methylphenyl)propan-2-ylamino]-2-(3,4,5-trimethoxyphenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile?
The canonical SMILES for 3-[1-(3-methylphenyl)propan-2-ylamino]-2-(3,4,5-trimethoxyphenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile is COc1cc(-c2nc3c(C#N)c[nH]n3c2NC(C)Cc2cccc(C)c2)cc(OC)c1OC.
What is the InChIKey of 3-[1-(3-methylphenyl)propan-2-ylamino]-2-(3,4,5-trimethoxyphenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile?
The InChIKey is XEXXUAQVJQIJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O3/c1-15-7-6-8-17(9-15)10-16(2)28-25-22(29-24-19(13-26)14-27-30(24)25)18-11-20(31-3)23(33-5)21(12-18)32-4/h6-9,11-12,14,16,27-28H,10H2,1-5H3.
What are the key properties of 3-[1-(3-methylphenyl)propan-2-ylamino]-2-(3,4,5-trimethoxyphenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile?
3-[1-(3-methylphenyl)propan-2-ylamino]-2-(3,4,5-trimethoxyphenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile has a molecular weight of 445.52 g/mol, XLogP of 4.58, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-methylphenyl)propan-2-ylamino]-2-(3,4,5-trimethoxyphenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile is sourced from PubChem (CID 91280291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).