(2-ethoxynaphthalen-1-yl)-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone

C24H24N6O2 — CID 122338219

IUPAC(2-ethoxynaphthalen-1-yl)-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCCOc1ccc2ccccc2c1C(=O)N1CCN(c2cc(-n3ccnc3)ncn2)CC1
InChIInChI=1S/C24H24N6O2/c1-2-32-20-8-7-18-5-3-4-6-19(18)23(20)24(31)29-13-11-28(12-14-29)21-15-22(27-16-26-21)30-10-9-25-17-30/h3-10,15-17H,2,11-14H2,1H3
InChIKeyZCLPHTNHSKHOMK-UHFFFAOYSA-N
MW428.50 g/mol
LogP3.18
Rot. Bonds5

About (2-ethoxynaphthalen-1-yl)-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone

(2-ethoxynaphthalen-1-yl)-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone (PubChem CID 122338219) has the molecular formula C24H24N6O2 and a molecular weight of 428.50 g/mol. Its IUPAC name is (2-ethoxynaphthalen-1-yl)-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-ethoxynaphthalen-1-yl)-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
PubChem CID122338219
Molecular FormulaC24H24N6O2
Molecular Weight428.50 g/mol
Exact Mass428.20
IUPAC Name(2-ethoxynaphthalen-1-yl)-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCCOc1ccc2ccccc2c1C(=O)N1CCN(c2cc(-n3ccnc3)ncn2)CC1
InChIInChI=1S/C24H24N6O2/c1-2-32-20-8-7-18-5-3-4-6-19(18)23(20)24(31)29-13-11-28(12-14-29)21-15-22(27-16-26-21)30-10-9-25-17-30/h3-10,15-17H,2,11-14H2,1H3
InChIKeyZCLPHTNHSKHOMK-UHFFFAOYSA-N
XLogP3.18
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(2-ethoxynaphthalen-1-yl)-[4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 90626469
[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 70702690
(2-ethoxynaphthalen-1-yl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone
CID 121060296
[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(2-ethoxynaphthalen-1-yl)methanone
CID 122337964
(4-butoxyphenyl)-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56699575
1-[4-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazine-1-carbonyl]phenyl]ethanone
CID 122338349
(2-ethoxynaphthalen-1-yl)-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]methanone
CID 52907337
(2-ethoxynaphthalen-1-yl)-(1,3-thiazolidin-3-yl)methanone
CID 122332035
(3,4-dimethylphenyl)-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56699139
furan-3-yl-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122338270
[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-(1-methyl-3-phenylpyrazol-5-yl)methanone
CID 122338214
[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-(3-iodophenyl)methanone
CID 121073744

Frequently Asked Questions

What is the IUPAC name of (2-ethoxynaphthalen-1-yl)-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
The IUPAC name of (2-ethoxynaphthalen-1-yl)-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone (CID 122338219) is (2-ethoxynaphthalen-1-yl)-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-ethoxynaphthalen-1-yl)-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for (2-ethoxynaphthalen-1-yl)-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone is CCOc1ccc2ccccc2c1C(=O)N1CCN(c2cc(-n3ccnc3)ncn2)CC1.
What is the InChIKey of (2-ethoxynaphthalen-1-yl)-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
The InChIKey is ZCLPHTNHSKHOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O2/c1-2-32-20-8-7-18-5-3-4-6-19(18)23(20)24(31)29-13-11-28(12-14-29)21-15-22(27-16-26-21)30-10-9-25-17-30/h3-10,15-17H,2,11-14H2,1H3.
What are the key properties of (2-ethoxynaphthalen-1-yl)-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
(2-ethoxynaphthalen-1-yl)-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone has a molecular weight of 428.50 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxynaphthalen-1-yl)-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 122338219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).