N-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-2-phenoxybenzamide

C29H25N5O3 — CID 122310503

IUPACN-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-2-phenoxybenzamide
SMILESCc1cc(C)n(-c2cc(Oc3ccc(NC(=O)c4ccccc4Oc4ccccc4)cc3)nc(C)n2)n1
InChIInChI=1S/C29H25N5O3/c1-19-17-20(2)34(33-19)27-18-28(31-21(3)30-27)37-24-15-13-22(14-16-24)32-29(35)25-11-7-8-12-26(25)36-23-9-5-4-6-10-23/h4-18H,1-3H3,(H,32,35)
InChIKeyKYEHUSDWGGDFBP-UHFFFAOYSA-N
MW491.55 g/mol
LogP6.42
Rot. Bonds7

About N-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-2-phenoxybenzamide

N-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-2-phenoxybenzamide (PubChem CID 122310503) has the molecular formula C29H25N5O3 and a molecular weight of 491.55 g/mol. Its IUPAC name is N-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-2-phenoxybenzamide.

Molecular Properties

Compound NameN-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-2-phenoxybenzamide
PubChem CID122310503
Molecular FormulaC29H25N5O3
Molecular Weight491.55 g/mol
Exact Mass491.20
IUPAC NameN-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-2-phenoxybenzamide
SMILESCc1cc(C)n(-c2cc(Oc3ccc(NC(=O)c4ccccc4Oc4ccccc4)cc3)nc(C)n2)n1
InChIInChI=1S/C29H25N5O3/c1-19-17-20(2)34(33-19)27-18-28(31-21(3)30-27)37-24-15-13-22(14-16-24)32-29(35)25-11-7-8-12-26(25)36-23-9-5-4-6-10-23/h4-18H,1-3H3,(H,32,35)
InChIKeyKYEHUSDWGGDFBP-UHFFFAOYSA-N
XLogP6.42
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.55
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-2,3,4-trifluorobenzamide
CID 122310584
N-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-3-(4-fluorophenoxy)benzamide
CID 122310602
N-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-8-methoxy-2-oxochromene-3-carboxamide
CID 122310489
N-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-3-(trifluoromethoxy)benzamide
CID 122310577
N-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 122310563
1-(2-chlorophenyl)-3-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]urea
CID 122310417
N-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-3,5-dinitrobenzamide
CID 122310691
2-chloro-N-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-6-fluorobenzamide
CID 122310357
N-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 122310493
1-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 122310680
N-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]cyclohexanecarboxamide
CID 122310332
N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-phenoxybenzamide
CID 122305588

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-2-phenoxybenzamide?
The IUPAC name of N-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-2-phenoxybenzamide (CID 122310503) is N-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-2-phenoxybenzamide.
What is the SMILES notation for N-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-2-phenoxybenzamide?
The canonical SMILES for N-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-2-phenoxybenzamide is Cc1cc(C)n(-c2cc(Oc3ccc(NC(=O)c4ccccc4Oc4ccccc4)cc3)nc(C)n2)n1.
What is the InChIKey of N-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-2-phenoxybenzamide?
The InChIKey is KYEHUSDWGGDFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N5O3/c1-19-17-20(2)34(33-19)27-18-28(31-21(3)30-27)37-24-15-13-22(14-16-24)32-29(35)25-11-7-8-12-26(25)36-23-9-5-4-6-10-23/h4-18H,1-3H3,(H,32,35).
What are the key properties of N-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-2-phenoxybenzamide?
N-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-2-phenoxybenzamide has a molecular weight of 491.55 g/mol, XLogP of 6.42, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-2-phenoxybenzamide is sourced from PubChem (CID 122310503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).