(2,6-difluorophenyl)-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methanone

C23H22F2N4O3 — CID 42110693

IUPAC(2,6-difluorophenyl)-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methanone
SMILESCOc1ccc(-c2ccc(N3CCN(C(=O)c4c(F)cccc4F)CC3)nn2)cc1OC
InChIInChI=1S/C23H22F2N4O3/c1-31-19-8-6-15(14-20(19)32-2)18-7-9-21(27-26-18)28-10-12-29(13-11-28)23(30)22-16(24)4-3-5-17(22)25/h3-9,14H,10-13H2,1-2H3
InChIKeyABMIOLLSORCEOI-UHFFFAOYSA-N
MW440.45 g/mol
LogP3.40
Rot. Bonds5

About (2,6-difluorophenyl)-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methanone

(2,6-difluorophenyl)-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methanone (PubChem CID 42110693) has the molecular formula C23H22F2N4O3 and a molecular weight of 440.45 g/mol. Its IUPAC name is (2,6-difluorophenyl)-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,6-difluorophenyl)-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methanone
PubChem CID42110693
Molecular FormulaC23H22F2N4O3
Molecular Weight440.45 g/mol
Exact Mass440.17
IUPAC Name(2,6-difluorophenyl)-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methanone
SMILESCOc1ccc(-c2ccc(N3CCN(C(=O)c4c(F)cccc4F)CC3)nn2)cc1OC
InChIInChI=1S/C23H22F2N4O3/c1-31-19-8-6-15(14-20(19)32-2)18-7-9-21(27-26-18)28-10-12-29(13-11-28)23(30)22-16(24)4-3-5-17(22)25/h3-9,14H,10-13H2,1-2H3
InChIKeyABMIOLLSORCEOI-UHFFFAOYSA-N
XLogP3.40
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.45
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,4-Diethoxyphenyl)-1-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 5307138
N-Cyclopropyl-3-[6-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-pyridazin-3-ylamino]-benzamide
CID 646176
N-Cyclohexyl-3-[6-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-pyridazin-3-ylamino]-N-methyl-benzamide
CID 6411222
(3,4-Dimethoxyphenyl)(4-(6-morpholinopyridazin-3-yl)piperazin-1-yl)methanone
CID 7292478
2,3-dimethoxy-N-(3-(6-morpholinopyridazin-3-yl)phenyl)benzamide
CID 7422451
3,4-dimethoxy-N-(3-(6-morpholinopyridazin-3-yl)phenyl)benzamide
CID 7422452
3,4-diethoxy-N-(3-(6-morpholinopyridazin-3-yl)phenyl)benzamide
CID 16800085
(4-(4-(4-Methoxyphenyl)phthalazin-1-yl)piperazin-1-yl)(phenyl)methanone
CID 46891044
(4-(4-(3-Methoxyphenyl)phthalazin-1-yl)piperazin-1-yl)(phenyl)methanone
CID 46891046
4-fluoro-N-[1-[6-(4-methoxyphenyl)-4,5-dimethylpyridazin-3-yl]piperidin-4-yl]-2-(trifluoromethyl)benzamide
CID 145960917
N-phenyl-6-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]pyridazin-3-amine
CID 16032736
{4-[6-(3,4-Dimethoxy-phenyl)-pyridazin-3-ylamino]-phenyl}-morpholin-4-yl-methanone
CID 6411247

Frequently Asked Questions

What is the IUPAC name of (2,6-difluorophenyl)-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methanone?
The IUPAC name of (2,6-difluorophenyl)-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methanone (CID 42110693) is (2,6-difluorophenyl)-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methanone.
What is the SMILES notation for (2,6-difluorophenyl)-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methanone?
The canonical SMILES for (2,6-difluorophenyl)-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methanone is COc1ccc(-c2ccc(N3CCN(C(=O)c4c(F)cccc4F)CC3)nn2)cc1OC.
What is the InChIKey of (2,6-difluorophenyl)-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methanone?
The InChIKey is ABMIOLLSORCEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N4O3/c1-31-19-8-6-15(14-20(19)32-2)18-7-9-21(27-26-18)28-10-12-29(13-11-28)23(30)22-16(24)4-3-5-17(22)25/h3-9,14H,10-13H2,1-2H3.
What are the key properties of (2,6-difluorophenyl)-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methanone?
(2,6-difluorophenyl)-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methanone has a molecular weight of 440.45 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluorophenyl)-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 42110693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).