[4-(6-methoxypyridazin-3-yl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

C20H20N6O2 — CID 119072911

IUPAC[4-(6-methoxypyridazin-3-yl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCOc1ccc(-c2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc2)nn1
InChIInChI=1S/C20H20N6O2/c1-28-18-8-7-17(23-24-18)15-3-5-16(6-4-15)19(27)25-11-13-26(14-12-25)20-21-9-2-10-22-20/h2-10H,11-14H2,1H3
InChIKeyVBVCCYQBTJZEKI-UHFFFAOYSA-N
MW376.42 g/mol
LogP1.90
Rot. Bonds4

About [4-(6-methoxypyridazin-3-yl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

[4-(6-methoxypyridazin-3-yl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 119072911) has the molecular formula C20H20N6O2 and a molecular weight of 376.42 g/mol. Its IUPAC name is [4-(6-methoxypyridazin-3-yl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-(6-methoxypyridazin-3-yl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID119072911
Molecular FormulaC20H20N6O2
Molecular Weight376.42 g/mol
Exact Mass376.16
IUPAC Name[4-(6-methoxypyridazin-3-yl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCOc1ccc(-c2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc2)nn1
InChIInChI=1S/C20H20N6O2/c1-28-18-8-7-17(23-24-18)15-3-5-16(6-4-15)19(27)25-11-13-26(14-12-25)20-21-9-2-10-22-20/h2-10H,11-14H2,1H3
InChIKeyVBVCCYQBTJZEKI-UHFFFAOYSA-N
XLogP1.90
TPSA84.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [4-(6-methoxypyridazin-3-yl)phenyl]-(4-pyrimidin-2-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

[4-[4-(6-methoxypyridazin-3-yl)benzoyl]piperazin-1-yl]-phenylmethanone
CID 134801691
[4-(6-methoxypyridazin-3-yl)phenyl]-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone
CID 134802267
[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 16883350
N-[1-[4-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]acetamide
CID 134801644
(4-pyrimidin-2-ylpiperazin-1-yl)-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methanone
CID 68702242
(4-butan-2-ylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 110761276
(4-pyrimidin-2-ylpiperazin-1-yl)-(4-pyrrolidin-1-ylphenyl)methanone
CID 110295154
(4-pyrimidin-2-ylpiperazin-1-yl)-[4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)phenyl]methanone
CID 110300392
[4-(6-methylpyridazin-3-yl)phenyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 119066291
(3S)-1-[4-(6-methoxypyridazin-3-yl)benzoyl]piperidine-3-carboxamide
CID 126446549
[5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 31860015
[6-(2-methoxyphenyl)-3-pyridinyl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone
CID 56749250

Frequently Asked Questions

What is the IUPAC name of [4-(6-methoxypyridazin-3-yl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [4-(6-methoxypyridazin-3-yl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 119072911) is [4-(6-methoxypyridazin-3-yl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-(6-methoxypyridazin-3-yl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [4-(6-methoxypyridazin-3-yl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is COc1ccc(-c2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc2)nn1.
What is the InChIKey of [4-(6-methoxypyridazin-3-yl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is VBVCCYQBTJZEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O2/c1-28-18-8-7-17(23-24-18)15-3-5-16(6-4-15)19(27)25-11-13-26(14-12-25)20-21-9-2-10-22-20/h2-10H,11-14H2,1H3.
What are the key properties of [4-(6-methoxypyridazin-3-yl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
[4-(6-methoxypyridazin-3-yl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 376.42 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-methoxypyridazin-3-yl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 119072911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).