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

C24H23N5O4 — CID 122311480

IUPACN-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(Oc3cc(-n4nc(C)cc4C)ncn3)cc2)c1OC
InChIInChI=1S/C24H23N5O4/c1-15-12-16(2)29(28-15)21-13-22(26-14-25-21)33-18-10-8-17(9-11-18)27-24(30)19-6-5-7-20(31-3)23(19)32-4/h5-14H,1-4H3,(H,27,30)
InChIKeyVMBFLEGYNXEESU-UHFFFAOYSA-N
MW445.48 g/mol
LogP4.34
Rot. Bonds7

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

N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2,3-dimethoxybenzamide (PubChem CID 122311480) has the molecular formula C24H23N5O4 and a molecular weight of 445.48 g/mol. Its IUPAC name is N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2,3-dimethoxybenzamide.

Molecular Properties

Compound NameN-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2,3-dimethoxybenzamide
PubChem CID122311480
Molecular FormulaC24H23N5O4
Molecular Weight445.48 g/mol
Exact Mass445.18
IUPAC NameN-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(Oc3cc(-n4nc(C)cc4C)ncn3)cc2)c1OC
InChIInChI=1S/C24H23N5O4/c1-15-12-16(2)29(28-15)21-13-22(26-14-25-21)33-18-10-8-17(9-11-18)27-24(30)19-6-5-7-20(31-3)23(19)32-4/h5-14H,1-4H3,(H,27,30)
InChIKeyVMBFLEGYNXEESU-UHFFFAOYSA-N
XLogP4.34
TPSA100.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.48
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-bromo-N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide
CID 122311816
N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-1,2-oxazole-5-carboxamide
CID 122311628
N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]quinoline-2-carboxamide
CID 122311638
N-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-2-phenoxybenzamide
CID 122310503
N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-3,4-dimethoxybenzamide
CID 122305386
2,3-dimethoxy-N-(4-phenoxyphenyl)benzamide
CID 912370
1-(2,3-dimethoxyphenyl)-3-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]urea
CID 122311435
N-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-8-methoxy-2-oxochromene-3-carboxamide
CID 122310489
2-(4-chlorophenyl)-N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]acetamide
CID 122311512
1-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 122311814
4-(3,5-dimethylpyrazol-1-yl)-6-(4-methylphenoxy)pyrimidine
CID 850309
2-methyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide
CID 122311091

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2,3-dimethoxybenzamide?
The IUPAC name of N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2,3-dimethoxybenzamide (CID 122311480) is N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2,3-dimethoxybenzamide.
What is the SMILES notation for N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2,3-dimethoxybenzamide?
The canonical SMILES for N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2,3-dimethoxybenzamide is COc1cccc(C(=O)Nc2ccc(Oc3cc(-n4nc(C)cc4C)ncn3)cc2)c1OC.
What is the InChIKey of N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2,3-dimethoxybenzamide?
The InChIKey is VMBFLEGYNXEESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O4/c1-15-12-16(2)29(28-15)21-13-22(26-14-25-21)33-18-10-8-17(9-11-18)27-24(30)19-6-5-7-20(31-3)23(19)32-4/h5-14H,1-4H3,(H,27,30).
What are the key properties of N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2,3-dimethoxybenzamide?
N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2,3-dimethoxybenzamide has a molecular weight of 445.48 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2,3-dimethoxybenzamide is sourced from PubChem (CID 122311480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).