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

C28H25N5O2 — CID 122311281

IUPAC2-naphthalen-1-yl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]acetamide
SMILESCc1nn(-c2cc(Oc3ccc(NC(=O)Cc4cccc5ccccc45)cc3)ncn2)c(C)c1C
InChIInChI=1S/C28H25N5O2/c1-18-19(2)32-33(20(18)3)26-16-28(30-17-29-26)35-24-13-11-23(12-14-24)31-27(34)15-22-9-6-8-21-7-4-5-10-25(21)22/h4-14,16-17H,15H2,1-3H3,(H,31,34)
InChIKeyISLRJAXVQJPBKP-UHFFFAOYSA-N
MW463.54 g/mol
LogP5.71
Rot. Bonds6

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

2-naphthalen-1-yl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]acetamide (PubChem CID 122311281) has the molecular formula C28H25N5O2 and a molecular weight of 463.54 g/mol. Its IUPAC name is 2-naphthalen-1-yl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]acetamide.

Molecular Properties

Compound Name2-naphthalen-1-yl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]acetamide
PubChem CID122311281
Molecular FormulaC28H25N5O2
Molecular Weight463.54 g/mol
Exact Mass463.20
IUPAC Name2-naphthalen-1-yl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]acetamide
SMILESCc1nn(-c2cc(Oc3ccc(NC(=O)Cc4cccc5ccccc45)cc3)ncn2)c(C)c1C
InChIInChI=1S/C28H25N5O2/c1-18-19(2)32-33(20(18)3)26-16-28(30-17-29-26)35-24-13-11-23(12-14-24)31-27(34)15-22-9-6-8-21-7-4-5-10-25(21)22/h4-14,16-17H,15H2,1-3H3,(H,31,34)
InChIKeyISLRJAXVQJPBKP-UHFFFAOYSA-N
XLogP5.71
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.54
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

2,2-diphenyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]acetamide
CID 122311140
2-methyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide
CID 122311091
1-(2,3-dimethoxyphenyl)-3-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]urea
CID 122311435
1-(3-methylsulfanylphenyl)-3-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]urea
CID 122311234
4-methyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]thiophene-2-carboxamide
CID 122311312
N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]cyclopentanecarboxamide
CID 122311087
2-(4-methoxyphenoxy)-N-[4-[2-methyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]acetamide
CID 122310896
N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]ethanesulfonamide
CID 122311212
4-(trifluoromethoxy)-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide
CID 122311318
1-(5-chloro-2-methoxyphenyl)-3-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]urea
CID 122311158
(E)-3-(4-chlorophenyl)-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]prop-2-enamide
CID 122311356
2-(2-methoxyphenyl)-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide
CID 122309055

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]acetamide?
The IUPAC name of 2-naphthalen-1-yl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]acetamide (CID 122311281) is 2-naphthalen-1-yl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]acetamide.
What is the SMILES notation for 2-naphthalen-1-yl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]acetamide?
The canonical SMILES for 2-naphthalen-1-yl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]acetamide is Cc1nn(-c2cc(Oc3ccc(NC(=O)Cc4cccc5ccccc45)cc3)ncn2)c(C)c1C.
What is the InChIKey of 2-naphthalen-1-yl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]acetamide?
The InChIKey is ISLRJAXVQJPBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N5O2/c1-18-19(2)32-33(20(18)3)26-16-28(30-17-29-26)35-24-13-11-23(12-14-24)31-27(34)15-22-9-6-8-21-7-4-5-10-25(21)22/h4-14,16-17H,15H2,1-3H3,(H,31,34).
What are the key properties of 2-naphthalen-1-yl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]acetamide?
2-naphthalen-1-yl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]acetamide has a molecular weight of 463.54 g/mol, XLogP of 5.71, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]acetamide is sourced from PubChem (CID 122311281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).