(2-ethoxy-6-methyl-3-pyridinyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone

C17H21N5O2 — CID 136535580

IUPAC(2-ethoxy-6-methyl-3-pyridinyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone
SMILESCCOc1nc(C)ccc1C(=O)N1CCN(c2cccnn2)CC1
InChIInChI=1S/C17H21N5O2/c1-3-24-16-14(7-6-13(2)19-16)17(23)22-11-9-21(10-12-22)15-5-4-8-18-20-15/h4-8H,3,9-12H2,1-2H3
InChIKeyMCXWCPMSPORYHJ-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.54
Rot. Bonds4

About (2-ethoxy-6-methyl-3-pyridinyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone

(2-ethoxy-6-methyl-3-pyridinyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone (PubChem CID 136535580) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is (2-ethoxy-6-methyl-3-pyridinyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-ethoxy-6-methyl-3-pyridinyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone
PubChem CID136535580
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name(2-ethoxy-6-methyl-3-pyridinyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone
SMILESCCOc1nc(C)ccc1C(=O)N1CCN(c2cccnn2)CC1
InChIInChI=1S/C17H21N5O2/c1-3-24-16-14(7-6-13(2)19-16)17(23)22-11-9-21(10-12-22)15-5-4-8-18-20-15/h4-8H,3,9-12H2,1-2H3
InChIKeyMCXWCPMSPORYHJ-UHFFFAOYSA-N
XLogP1.54
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2-ethoxy-6-methyl-3-pyridinyl)-(4-pyridazin-3-ylpiperazin-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-pyridazin-3-ylpiperazin-1-yl)methanone
CID 121060296
(4-methylphenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone
CID 121060278
(2-bromophenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone
CID 121060383
(2,6-dimethoxyphenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone
CID 121060283
(2-phenoxyphenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone
CID 121060375
[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-(2-ethoxy-3-pyridinyl)methanone
CID 42110699
(2-ethoxy-6-methyl-3-pyridinyl)-[4-(1H-indol-3-yl)piperidin-1-yl]methanone
CID 119047088
[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 122339313
(4-fluorophenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone
CID 121060430
(4-propan-2-yloxyphenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone
CID 121060380
[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 122351151
2-[3-(4-pyridazin-3-ylpiperazine-1-carbonyl)phenoxy]acetic acid
CID 119183766

Frequently Asked Questions

What is the IUPAC name of (2-ethoxy-6-methyl-3-pyridinyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone?
The IUPAC name of (2-ethoxy-6-methyl-3-pyridinyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone (CID 136535580) is (2-ethoxy-6-methyl-3-pyridinyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-ethoxy-6-methyl-3-pyridinyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone?
The canonical SMILES for (2-ethoxy-6-methyl-3-pyridinyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone is CCOc1nc(C)ccc1C(=O)N1CCN(c2cccnn2)CC1.
What is the InChIKey of (2-ethoxy-6-methyl-3-pyridinyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone?
The InChIKey is MCXWCPMSPORYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-3-24-16-14(7-6-13(2)19-16)17(23)22-11-9-21(10-12-22)15-5-4-8-18-20-15/h4-8H,3,9-12H2,1-2H3.
What are the key properties of (2-ethoxy-6-methyl-3-pyridinyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone?
(2-ethoxy-6-methyl-3-pyridinyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone has a molecular weight of 327.39 g/mol, XLogP of 1.54, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxy-6-methyl-3-pyridinyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 136535580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).