N-[4-[2-methyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-phenoxypropanamide

C26H27N5O3 — CID 122310757

IUPACN-[4-[2-methyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-phenoxypropanamide
SMILESCc1nc(Oc2ccc(NC(=O)C(C)Oc3ccccc3)cc2)cc(-n2nc(C)c(C)c2C)n1
InChIInChI=1S/C26H27N5O3/c1-16-17(2)30-31(18(16)3)24-15-25(28-20(5)27-24)34-23-13-11-21(12-14-23)29-26(32)19(4)33-22-9-7-6-8-10-22/h6-15,19H,1-5H3,(H,29,32)
InChIKeyHRZVTTFZSGVQAR-UHFFFAOYSA-N
MW457.53 g/mol
LogP5.09
Rot. Bonds7

About N-[4-[2-methyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-phenoxypropanamide

N-[4-[2-methyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-phenoxypropanamide (PubChem CID 122310757) has the molecular formula C26H27N5O3 and a molecular weight of 457.53 g/mol. Its IUPAC name is N-[4-[2-methyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-phenoxypropanamide.

Molecular Properties

Compound NameN-[4-[2-methyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-phenoxypropanamide
PubChem CID122310757
Molecular FormulaC26H27N5O3
Molecular Weight457.53 g/mol
Exact Mass457.21
IUPAC NameN-[4-[2-methyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-phenoxypropanamide
SMILESCc1nc(Oc2ccc(NC(=O)C(C)Oc3ccccc3)cc2)cc(-n2nc(C)c(C)c2C)n1
InChIInChI=1S/C26H27N5O3/c1-16-17(2)30-31(18(16)3)24-15-25(28-20(5)27-24)34-23-13-11-21(12-14-23)29-26(32)19(4)33-22-9-7-6-8-10-22/h6-15,19H,1-5H3,(H,29,32)
InChIKeyHRZVTTFZSGVQAR-UHFFFAOYSA-N
XLogP5.09
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.53
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[4-[2-methyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-phenoxypropanamide 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

1-[4-[2-methyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-3-naphthalen-2-ylurea
CID 122310783
2-bromo-N-[4-[2-methyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide
CID 122311060
1-(4-tert-butylphenyl)-3-[4-[2-methyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]urea
CID 122311056
1-(4-ethoxyphenyl)-3-[4-[2-methyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]urea
CID 122310797
N-[4-[2-methyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzenesulfonamide
CID 122310809
2-(4-methoxyphenoxy)-N-[4-[2-methyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]acetamide
CID 122310896
3-iodo-N-[4-[2-methyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide
CID 122311065
2,2-diphenyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]acetamide
CID 122311140
2-(4-methoxyphenoxy)-N-(4-phenoxyphenyl)propanamide
CID 2952537
2-chloro-N-[4-[2-methyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-4-nitrobenzamide
CID 122311070
N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]acetamide
CID 122305742
2-(3-methylphenoxy)-N-(4-phenoxyphenyl)propanamide
CID 3937440

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-methyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-phenoxypropanamide?
The IUPAC name of N-[4-[2-methyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-phenoxypropanamide (CID 122310757) is N-[4-[2-methyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-phenoxypropanamide.
What is the SMILES notation for N-[4-[2-methyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-phenoxypropanamide?
The canonical SMILES for N-[4-[2-methyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-phenoxypropanamide is Cc1nc(Oc2ccc(NC(=O)C(C)Oc3ccccc3)cc2)cc(-n2nc(C)c(C)c2C)n1.
What is the InChIKey of N-[4-[2-methyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-phenoxypropanamide?
The InChIKey is HRZVTTFZSGVQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O3/c1-16-17(2)30-31(18(16)3)24-15-25(28-20(5)27-24)34-23-13-11-21(12-14-23)29-26(32)19(4)33-22-9-7-6-8-10-22/h6-15,19H,1-5H3,(H,29,32).
What are the key properties of N-[4-[2-methyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-phenoxypropanamide?
N-[4-[2-methyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-phenoxypropanamide has a molecular weight of 457.53 g/mol, XLogP of 5.09, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-methyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-phenoxypropanamide is sourced from PubChem (CID 122310757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).