(2-ethoxynaphthalen-1-yl)-[4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone

C23H23N7O2 — CID 90626469

IUPAC(2-ethoxynaphthalen-1-yl)-[4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
SMILESCCOc1ccc2ccccc2c1C(=O)N1CCN(c2cc(-n3cncn3)ncn2)CC1
InChIInChI=1S/C23H23N7O2/c1-2-32-19-8-7-17-5-3-4-6-18(17)22(19)23(31)29-11-9-28(10-12-29)20-13-21(26-15-25-20)30-16-24-14-27-30/h3-8,13-16H,2,9-12H2,1H3
InChIKeyPFCVQTOAXVGVKK-UHFFFAOYSA-N
MW429.48 g/mol
LogP2.57
Rot. Bonds5

About (2-ethoxynaphthalen-1-yl)-[4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone

(2-ethoxynaphthalen-1-yl)-[4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone (PubChem CID 90626469) has the molecular formula C23H23N7O2 and a molecular weight of 429.48 g/mol. Its IUPAC name is (2-ethoxynaphthalen-1-yl)-[4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-ethoxynaphthalen-1-yl)-[4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
PubChem CID90626469
Molecular FormulaC23H23N7O2
Molecular Weight429.48 g/mol
Exact Mass429.19
IUPAC Name(2-ethoxynaphthalen-1-yl)-[4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
SMILESCCOc1ccc2ccccc2c1C(=O)N1CCN(c2cc(-n3cncn3)ncn2)CC1
InChIInChI=1S/C23H23N7O2/c1-2-32-19-8-7-17-5-3-4-6-18(17)22(19)23(31)29-11-9-28(10-12-29)20-13-21(26-15-25-20)30-16-24-14-27-30/h3-8,13-16H,2,9-12H2,1H3
InChIKeyPFCVQTOAXVGVKK-UHFFFAOYSA-N
XLogP2.57
TPSA89.27 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

(2-ethoxynaphthalen-1-yl)-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122338219
N-(2-ethoxyphenyl)-4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide
CID 90627085
(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
(6-ethoxy-3-pyridinyl)-[4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 90626676
(2-fluorophenyl)-[4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 90626449
[4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 90626680
(2-ethoxynaphthalen-1-yl)-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]methanone
CID 52907337
(6-methoxypyridazin-3-yl)-[4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 90626687
(2-ethoxynaphthalen-1-yl)-(1,3-thiazolidin-3-yl)methanone
CID 122332035
(2-ethoxynaphthalen-1-yl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 97038933
2-ethoxy-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]naphthalene-1-carboxamide
CID 122327552

Frequently Asked Questions

What is the IUPAC name of (2-ethoxynaphthalen-1-yl)-[4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone?
The IUPAC name of (2-ethoxynaphthalen-1-yl)-[4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone (CID 90626469) is (2-ethoxynaphthalen-1-yl)-[4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone.
What is the SMILES notation for (2-ethoxynaphthalen-1-yl)-[4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone?
The canonical SMILES for (2-ethoxynaphthalen-1-yl)-[4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone is CCOc1ccc2ccccc2c1C(=O)N1CCN(c2cc(-n3cncn3)ncn2)CC1.
What is the InChIKey of (2-ethoxynaphthalen-1-yl)-[4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone?
The InChIKey is PFCVQTOAXVGVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O2/c1-2-32-19-8-7-17-5-3-4-6-18(17)22(19)23(31)29-11-9-28(10-12-29)20-13-21(26-15-25-20)30-16-24-14-27-30/h3-8,13-16H,2,9-12H2,1H3.
What are the key properties of (2-ethoxynaphthalen-1-yl)-[4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone?
(2-ethoxynaphthalen-1-yl)-[4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone has a molecular weight of 429.48 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxynaphthalen-1-yl)-[4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 90626469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).