2-[3-[2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanoylamino]benzamide

C26H27N5O4 — CID 6622537

IUPAC2-[3-[2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanoylamino]benzamide
SMILESCOc1ccc(-c2cc3nc(C)c(CCC(=O)Nc4ccccc4C(N)=O)c(C)n3n2)c(OC)c1
InChIInChI=1S/C26H27N5O4/c1-15-18(11-12-25(32)29-21-8-6-5-7-20(21)26(27)33)16(2)31-24(28-15)14-22(30-31)19-10-9-17(34-3)13-23(19)35-4/h5-10,13-14H,11-12H2,1-4H3,(H2,27,33)(H,29,32)
InChIKeyWFHUAIYPZRMINE-UHFFFAOYSA-N
MW473.53 g/mol
LogP3.70
Rot. Bonds8

About 2-[3-[2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanoylamino]benzamide

2-[3-[2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanoylamino]benzamide (PubChem CID 6622537) has the molecular formula C26H27N5O4 and a molecular weight of 473.53 g/mol. Its IUPAC name is 2-[3-[2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanoylamino]benzamide.

Molecular Properties

Compound Name2-[3-[2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanoylamino]benzamide
PubChem CID6622537
Molecular FormulaC26H27N5O4
Molecular Weight473.53 g/mol
Exact Mass473.21
IUPAC Name2-[3-[2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanoylamino]benzamide
SMILESCOc1ccc(-c2cc3nc(C)c(CCC(=O)Nc4ccccc4C(N)=O)c(C)n3n2)c(OC)c1
InChIInChI=1S/C26H27N5O4/c1-15-18(11-12-25(32)29-21-8-6-5-7-20(21)26(27)33)16(2)31-24(28-15)14-22(30-31)19-10-9-17(34-3)13-23(19)35-4/h5-10,13-14H,11-12H2,1-4H3,(H2,27,33)(H,29,32)
InChIKeyWFHUAIYPZRMINE-UHFFFAOYSA-N
XLogP3.70
TPSA120.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.53
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(6-methyl-2-pyridinyl)propanamide
CID 20863489
3-[2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(4-ethylphenyl)propanamide
CID 20863409
3-[2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-propylpropanamide
CID 20863460
3-[2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(2-phenyl-3H-benzimidazol-5-yl)propanamide
CID 20863474
3-[2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 20863481
ethyl (3S)-3-[3-[2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanoylamino]-3-thiophen-2-ylpropanoate
CID 92906441
N-[2-(cyclohexen-1-yl)ethyl]-3-[2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 20863457
3-[2-(aminomethyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(2,4-dimethoxyphenyl)propanamide
CID 23602199
N-[3-(1-benzylpiperidin-4-yl)propyl]-3-[2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 46255720
N-(2-methoxyphenyl)-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 122175613
N-(2,3-dimethylphenyl)-3-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 20862983
N-(2-hydroxyphenyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 31617297

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanoylamino]benzamide?
The IUPAC name of 2-[3-[2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanoylamino]benzamide (CID 6622537) is 2-[3-[2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanoylamino]benzamide.
What is the SMILES notation for 2-[3-[2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanoylamino]benzamide?
The canonical SMILES for 2-[3-[2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanoylamino]benzamide is COc1ccc(-c2cc3nc(C)c(CCC(=O)Nc4ccccc4C(N)=O)c(C)n3n2)c(OC)c1.
What is the InChIKey of 2-[3-[2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanoylamino]benzamide?
The InChIKey is WFHUAIYPZRMINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O4/c1-15-18(11-12-25(32)29-21-8-6-5-7-20(21)26(27)33)16(2)31-24(28-15)14-22(30-31)19-10-9-17(34-3)13-23(19)35-4/h5-10,13-14H,11-12H2,1-4H3,(H2,27,33)(H,29,32).
What are the key properties of 2-[3-[2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanoylamino]benzamide?
2-[3-[2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanoylamino]benzamide has a molecular weight of 473.53 g/mol, XLogP of 3.70, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanoylamino]benzamide is sourced from PubChem (CID 6622537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).