[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(2-ethoxynaphthalen-1-yl)methanone

C27H30N6O2 — CID 122337964

IUPAC[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(2-ethoxynaphthalen-1-yl)methanone
SMILESCCOc1ccc2ccccc2c1C(=O)N1CCN(c2cc(-n3nc(C)cc3C)nc(C)n2)CC1
InChIInChI=1S/C27H30N6O2/c1-5-35-23-11-10-21-8-6-7-9-22(21)26(23)27(34)32-14-12-31(13-15-32)24-17-25(29-20(4)28-24)33-19(3)16-18(2)30-33/h6-11,16-17H,5,12-15H2,1-4H3
InChIKeyRWMYOLPIWSXZHU-UHFFFAOYSA-N
MW470.58 g/mol
LogP4.10
Rot. Bonds5

About [4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(2-ethoxynaphthalen-1-yl)methanone

[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(2-ethoxynaphthalen-1-yl)methanone (PubChem CID 122337964) has the molecular formula C27H30N6O2 and a molecular weight of 470.58 g/mol. Its IUPAC name is [4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(2-ethoxynaphthalen-1-yl)methanone.

Molecular Properties

Compound Name[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(2-ethoxynaphthalen-1-yl)methanone
PubChem CID122337964
Molecular FormulaC27H30N6O2
Molecular Weight470.58 g/mol
Exact Mass470.24
IUPAC Name[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(2-ethoxynaphthalen-1-yl)methanone
SMILESCCOc1ccc2ccccc2c1C(=O)N1CCN(c2cc(-n3nc(C)cc3C)nc(C)n2)CC1
InChIInChI=1S/C27H30N6O2/c1-5-35-23-11-10-21-8-6-7-9-22(21)26(23)27(34)32-14-12-31(13-15-32)24-17-25(29-20(4)28-24)33-19(3)16-18(2)30-33/h6-11,16-17H,5,12-15H2,1-4H3
InChIKeyRWMYOLPIWSXZHU-UHFFFAOYSA-N
XLogP4.10
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.58
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(2-ethoxynaphthalen-1-yl)methanone 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-ethoxynaphthalen-1-yl)-[4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 90626469
(2-ethoxynaphthalen-1-yl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone
CID 121060296
(2-ethoxynaphthalen-1-yl)-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122338219
1-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]-2-(2-methylphenoxy)ethanone
CID 122337970
[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(4-pentoxyphenyl)methanone
CID 122338042
(3-bromophenyl)-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]methanone
CID 121072286
[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 122338082
(2-ethoxynaphthalen-1-yl)-(1,3-thiazolidin-3-yl)methanone
CID 122332035
1-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]-2-(1-methylindol-3-yl)ethanone
CID 122338058
4-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazine-1-carbonyl]benzonitrile
CID 122338002
[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone
CID 122337944
[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 122338036

Frequently Asked Questions

What is the IUPAC name of [4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(2-ethoxynaphthalen-1-yl)methanone?
The IUPAC name of [4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(2-ethoxynaphthalen-1-yl)methanone (CID 122337964) is [4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(2-ethoxynaphthalen-1-yl)methanone.
What is the SMILES notation for [4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(2-ethoxynaphthalen-1-yl)methanone?
The canonical SMILES for [4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(2-ethoxynaphthalen-1-yl)methanone is CCOc1ccc2ccccc2c1C(=O)N1CCN(c2cc(-n3nc(C)cc3C)nc(C)n2)CC1.
What is the InChIKey of [4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(2-ethoxynaphthalen-1-yl)methanone?
The InChIKey is RWMYOLPIWSXZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O2/c1-5-35-23-11-10-21-8-6-7-9-22(21)26(23)27(34)32-14-12-31(13-15-32)24-17-25(29-20(4)28-24)33-19(3)16-18(2)30-33/h6-11,16-17H,5,12-15H2,1-4H3.
What are the key properties of [4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(2-ethoxynaphthalen-1-yl)methanone?
[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(2-ethoxynaphthalen-1-yl)methanone has a molecular weight of 470.58 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(2-ethoxynaphthalen-1-yl)methanone is sourced from PubChem (CID 122337964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).