pyridin-4-yl-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]methanone

C19H18N6O — CID 121058477

IUPACpyridin-4-yl-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]methanone
SMILESO=C(c1ccncc1)N1CCN(c2ccc(-c3ccccn3)nn2)CC1
InChIInChI=1S/C19H18N6O/c26-19(15-6-9-20-10-7-15)25-13-11-24(12-14-25)18-5-4-17(22-23-18)16-3-1-2-8-21-16/h1-10H,11-14H2
InChIKeyCWMOHQGLHSSBDP-UHFFFAOYSA-N
MW346.39 g/mol
LogP1.90
Rot. Bonds3

About pyridin-4-yl-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]methanone

pyridin-4-yl-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]methanone (PubChem CID 121058477) has the molecular formula C19H18N6O and a molecular weight of 346.39 g/mol. Its IUPAC name is pyridin-4-yl-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namepyridin-4-yl-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]methanone
PubChem CID121058477
Molecular FormulaC19H18N6O
Molecular Weight346.39 g/mol
Exact Mass346.15
IUPAC Namepyridin-4-yl-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]methanone
SMILESO=C(c1ccncc1)N1CCN(c2ccc(-c3ccccn3)nn2)CC1
InChIInChI=1S/C19H18N6O/c26-19(15-6-9-20-10-7-15)25-13-11-24(12-14-25)18-5-4-17(22-23-18)16-3-1-2-8-21-16/h1-10H,11-14H2
InChIKeyCWMOHQGLHSSBDP-UHFFFAOYSA-N
XLogP1.90
TPSA75.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 121058164
(3,4-dimethylphenyl)-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121058149
5-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazine-1-carbonyl]-1H-pyridin-2-one
CID 121058483
(4-chloro-3-nitrophenyl)-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121058158
3-methyl-1-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]butan-1-one
CID 25283703
(2,4-dimethyl-1,3-thiazol-5-yl)-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121058233
3,3-dimethyl-1-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]butan-1-one
CID 121058143
phenyl-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121038151
phenyl-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone
CID 742493
(5-chloro-2-nitrophenyl)-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121058234
3-(4-methylsulfonylpiperazin-1-yl)-6-pyridin-2-ylpyridazine
CID 25283779
[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-phenylmethanone
CID 122279226

Frequently Asked Questions

What is the IUPAC name of pyridin-4-yl-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The IUPAC name of pyridin-4-yl-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]methanone (CID 121058477) is pyridin-4-yl-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]methanone.
What is the SMILES notation for pyridin-4-yl-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The canonical SMILES for pyridin-4-yl-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]methanone is O=C(c1ccncc1)N1CCN(c2ccc(-c3ccccn3)nn2)CC1.
What is the InChIKey of pyridin-4-yl-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The InChIKey is CWMOHQGLHSSBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O/c26-19(15-6-9-20-10-7-15)25-13-11-24(12-14-25)18-5-4-17(22-23-18)16-3-1-2-8-21-16/h1-10H,11-14H2.
What are the key properties of pyridin-4-yl-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]methanone?
pyridin-4-yl-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]methanone has a molecular weight of 346.39 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-4-yl-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 121058477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).