3-[2-(3,5-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[(2-methoxyphenyl)methyl]propanamide

C27H30N4O4 — CID 20862904

IUPAC3-[2-(3,5-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[(2-methoxyphenyl)methyl]propanamide
SMILESCOc1cc(OC)cc(-c2cc3nc(C)c(CCC(=O)NCc4ccccc4OC)c(C)n3n2)c1
InChIInChI=1S/C27H30N4O4/c1-17-23(10-11-27(32)28-16-19-8-6-7-9-25(19)35-5)18(2)31-26(29-17)15-24(30-31)20-12-21(33-3)14-22(13-20)34-4/h6-9,12-15H,10-11,16H2,1-5H3,(H,28,32)
InChIKeySPTUHPOKOQRMQW-UHFFFAOYSA-N
MW474.56 g/mol
LogP4.29
Rot. Bonds9

About 3-[2-(3,5-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[(2-methoxyphenyl)methyl]propanamide

3-[2-(3,5-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[(2-methoxyphenyl)methyl]propanamide (PubChem CID 20862904) has the molecular formula C27H30N4O4 and a molecular weight of 474.56 g/mol. Its IUPAC name is 3-[2-(3,5-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[(2-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[2-(3,5-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[(2-methoxyphenyl)methyl]propanamide
PubChem CID20862904
Molecular FormulaC27H30N4O4
Molecular Weight474.56 g/mol
Exact Mass474.23
IUPAC Name3-[2-(3,5-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[(2-methoxyphenyl)methyl]propanamide
SMILESCOc1cc(OC)cc(-c2cc3nc(C)c(CCC(=O)NCc4ccccc4OC)c(C)n3n2)c1
InChIInChI=1S/C27H30N4O4/c1-17-23(10-11-27(32)28-16-19-8-6-7-9-25(19)35-5)18(2)31-26(29-17)15-24(30-31)20-12-21(33-3)14-22(13-20)34-4/h6-9,12-15H,10-11,16H2,1-5H3,(H,28,32)
InChIKeySPTUHPOKOQRMQW-UHFFFAOYSA-N
XLogP4.29
TPSA86.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.56
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[2-(3,5-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(2-phenylethyl)propanamide
CID 20862911
3-[2-(3,5-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid
CID 5307346
N-[(2-methoxyphenyl)methyl]-3-(4,6,11,13-tetramethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-5-yl)propanamide
CID 23603026
3-[2-(3,5-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 122175591
N-[(2-methoxyphenyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 24574499
N-hexyl-3-[2-(2-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 20863291
3-[2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-propylpropanamide
CID 20863460
2-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[2-(2,3,4-trimethoxyphenyl)ethyl]acetamide
CID 20863744
3-[2-(3,5-dimethoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[2-(2,5-dimethoxyphenyl)ethyl]propanamide
CID 20863572
3-[2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(6-methyl-2-pyridinyl)propanamide
CID 20863489
2-[3-[2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanoylamino]benzamide
CID 6622537
3-[2-(difluoromethylsulfanyl)-4,6-dimethylpyrimidin-5-yl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 8927244

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,5-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[(2-methoxyphenyl)methyl]propanamide?
The IUPAC name of 3-[2-(3,5-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[(2-methoxyphenyl)methyl]propanamide (CID 20862904) is 3-[2-(3,5-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[(2-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for 3-[2-(3,5-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[(2-methoxyphenyl)methyl]propanamide?
The canonical SMILES for 3-[2-(3,5-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[(2-methoxyphenyl)methyl]propanamide is COc1cc(OC)cc(-c2cc3nc(C)c(CCC(=O)NCc4ccccc4OC)c(C)n3n2)c1.
What is the InChIKey of 3-[2-(3,5-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[(2-methoxyphenyl)methyl]propanamide?
The InChIKey is SPTUHPOKOQRMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O4/c1-17-23(10-11-27(32)28-16-19-8-6-7-9-25(19)35-5)18(2)31-26(29-17)15-24(30-31)20-12-21(33-3)14-22(13-20)34-4/h6-9,12-15H,10-11,16H2,1-5H3,(H,28,32).
What are the key properties of 3-[2-(3,5-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[(2-methoxyphenyl)methyl]propanamide?
3-[2-(3,5-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[(2-methoxyphenyl)methyl]propanamide has a molecular weight of 474.56 g/mol, XLogP of 4.29, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,5-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[(2-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 20862904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).