2-[3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoylamino]-N-(3-methoxyphenyl)benzamide

C26H24N6O3 — CID 55623710

IUPAC2-[3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoylamino]-N-(3-methoxyphenyl)benzamide
SMILESCOc1cccc(NC(=O)c2ccccc2NC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)c1
InChIInChI=1S/C26H24N6O3/c1-16-21(17(2)32-25(29-16)18(14-27)15-28-32)11-12-24(33)31-23-10-5-4-9-22(23)26(34)30-19-7-6-8-20(13-19)35-3/h4-10,13,15H,11-12H2,1-3H3,(H,30,34)(H,31,33)
InChIKeyZOVQQOGAUUSSMC-UHFFFAOYSA-N
MW468.52 g/mol
LogP4.05
Rot. Bonds7

About 2-[3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoylamino]-N-(3-methoxyphenyl)benzamide

2-[3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoylamino]-N-(3-methoxyphenyl)benzamide (PubChem CID 55623710) has the molecular formula C26H24N6O3 and a molecular weight of 468.52 g/mol. Its IUPAC name is 2-[3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoylamino]-N-(3-methoxyphenyl)benzamide.

Molecular Properties

Compound Name2-[3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoylamino]-N-(3-methoxyphenyl)benzamide
PubChem CID55623710
Molecular FormulaC26H24N6O3
Molecular Weight468.52 g/mol
Exact Mass468.19
IUPAC Name2-[3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoylamino]-N-(3-methoxyphenyl)benzamide
SMILESCOc1cccc(NC(=O)c2ccccc2NC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)c1
InChIInChI=1S/C26H24N6O3/c1-16-21(17(2)32-25(29-16)18(14-27)15-28-32)11-12-24(33)31-23-10-5-4-9-22(23)26(34)30-19-7-6-8-20(13-19)35-3/h4-10,13,15H,11-12H2,1-3H3,(H,30,34)(H,31,33)
InChIKeyZOVQQOGAUUSSMC-UHFFFAOYSA-N
XLogP4.05
TPSA121.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.52
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoylamino]-N-(3-methoxyphenyl)benzamide 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-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(4-fluoro-2-methoxyphenyl)propanamide
CID 86930802
N-[4-(carbamoylamino)-3-methoxyphenyl]-3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 71849153
N-[3-[1-[3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoylamino]ethyl]phenyl]benzamide
CID 46456871
3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[2-[[4-(cyanomethyl)phenoxy]methyl]phenyl]propanamide
CID 55899485
3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[3-(furan-2-ylmethoxymethyl)phenyl]propanamide
CID 55806725
N-(3-methoxyphenyl)-2-[3-(3-methylphenyl)propanoylamino]benzamide
CID 55456678
N'-[3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoyl]pyridine-3-carbohydrazide
CID 55624516
3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]propanamide
CID 55763746
methyl 2-[3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoylamino]-2-phenylacetate
CID 60609725
6-[3-(3-cyanoanilino)-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55736430
2-[3-(2-ethoxyphenyl)propanoylamino]-N-(3-methoxyphenyl)benzamide
CID 55380656
3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(4-fluoro-3-nitrophenyl)propanamide
CID 55622817

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoylamino]-N-(3-methoxyphenyl)benzamide?
The IUPAC name of 2-[3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoylamino]-N-(3-methoxyphenyl)benzamide (CID 55623710) is 2-[3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoylamino]-N-(3-methoxyphenyl)benzamide.
What is the SMILES notation for 2-[3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoylamino]-N-(3-methoxyphenyl)benzamide?
The canonical SMILES for 2-[3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoylamino]-N-(3-methoxyphenyl)benzamide is COc1cccc(NC(=O)c2ccccc2NC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)c1.
What is the InChIKey of 2-[3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoylamino]-N-(3-methoxyphenyl)benzamide?
The InChIKey is ZOVQQOGAUUSSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O3/c1-16-21(17(2)32-25(29-16)18(14-27)15-28-32)11-12-24(33)31-23-10-5-4-9-22(23)26(34)30-19-7-6-8-20(13-19)35-3/h4-10,13,15H,11-12H2,1-3H3,(H,30,34)(H,31,33).
What are the key properties of 2-[3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoylamino]-N-(3-methoxyphenyl)benzamide?
2-[3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoylamino]-N-(3-methoxyphenyl)benzamide has a molecular weight of 468.52 g/mol, XLogP of 4.05, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoylamino]-N-(3-methoxyphenyl)benzamide is sourced from PubChem (CID 55623710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).