(2-ethoxynaphthalen-1-yl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone

C21H22N4O2 — CID 121060296

IUPAC(2-ethoxynaphthalen-1-yl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone
SMILESCCOc1ccc2ccccc2c1C(=O)N1CCN(c2cccnn2)CC1
InChIInChI=1S/C21H22N4O2/c1-2-27-18-10-9-16-6-3-4-7-17(16)20(18)21(26)25-14-12-24(13-15-25)19-8-5-11-22-23-19/h3-11H,2,12-15H2,1H3
InChIKeyKFPHHCMNDSDATG-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.99
Rot. Bonds4

About (2-ethoxynaphthalen-1-yl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone

(2-ethoxynaphthalen-1-yl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone (PubChem CID 121060296) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is (2-ethoxynaphthalen-1-yl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-ethoxynaphthalen-1-yl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone
PubChem CID121060296
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name(2-ethoxynaphthalen-1-yl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone
SMILESCCOc1ccc2ccccc2c1C(=O)N1CCN(c2cccnn2)CC1
InChIInChI=1S/C21H22N4O2/c1-2-27-18-10-9-16-6-3-4-7-17(16)20(18)21(26)25-14-12-24(13-15-25)19-8-5-11-22-23-19/h3-11H,2,12-15H2,1H3
InChIKeyKFPHHCMNDSDATG-UHFFFAOYSA-N
XLogP2.99
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-ethoxynaphthalen-1-yl)-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122338219
(2-ethoxynaphthalen-1-yl)-[4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 90626469
[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(2-ethoxynaphthalen-1-yl)methanone
CID 122337964
(2-ethoxynaphthalen-1-yl)-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]methanone
CID 52907337
(2,6-dimethoxyphenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone
CID 121060283
(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-6-methyl-3-pyridinyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone
CID 136535580
(2-ethoxynaphthalen-1-yl)-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 43982544
(2-ethoxynaphthalen-1-yl)-(3-methylsulfonylpyrrolidin-1-yl)methanone
CID 90584648
[(3aS)-2-quinoxalin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(2-ethoxynaphthalen-1-yl)methanone
CID 122691775
benzyl 2-[4-(2-ethoxynaphthalene-1-carbonyl)-1,4-diazepan-1-yl]acetate
CID 3262319

Frequently Asked Questions

What is the IUPAC name of (2-ethoxynaphthalen-1-yl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone?
The IUPAC name of (2-ethoxynaphthalen-1-yl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone (CID 121060296) is (2-ethoxynaphthalen-1-yl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-ethoxynaphthalen-1-yl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone?
The canonical SMILES for (2-ethoxynaphthalen-1-yl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone is CCOc1ccc2ccccc2c1C(=O)N1CCN(c2cccnn2)CC1.
What is the InChIKey of (2-ethoxynaphthalen-1-yl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone?
The InChIKey is KFPHHCMNDSDATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-2-27-18-10-9-16-6-3-4-7-17(16)20(18)21(26)25-14-12-24(13-15-25)19-8-5-11-22-23-19/h3-11H,2,12-15H2,1H3.
What are the key properties of (2-ethoxynaphthalen-1-yl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone?
(2-ethoxynaphthalen-1-yl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone has a molecular weight of 362.43 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxynaphthalen-1-yl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 121060296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).