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

C23H23FN4O3 — CID 42110692

IUPAC[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-(2-fluorophenyl)methanone
SMILESCOc1ccc(-c2ccc(N3CCN(C(=O)c4ccccc4F)CC3)nn2)cc1OC
InChIInChI=1S/C23H23FN4O3/c1-30-20-9-7-16(15-21(20)31-2)19-8-10-22(26-25-19)27-11-13-28(14-12-27)23(29)17-5-3-4-6-18(17)24/h3-10,15H,11-14H2,1-2H3
InChIKeyIVWVFPNNIOCPDY-UHFFFAOYSA-N
MW422.46 g/mol
LogP3.26
Rot. Bonds5

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

[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-(2-fluorophenyl)methanone (PubChem CID 42110692) has the molecular formula C23H23FN4O3 and a molecular weight of 422.46 g/mol. Its IUPAC name is [4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-(2-fluorophenyl)methanone
PubChem CID42110692
Molecular FormulaC23H23FN4O3
Molecular Weight422.46 g/mol
Exact Mass422.18
IUPAC Name[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-(2-fluorophenyl)methanone
SMILESCOc1ccc(-c2ccc(N3CCN(C(=O)c4ccccc4F)CC3)nn2)cc1OC
InChIInChI=1S/C23H23FN4O3/c1-30-20-9-7-16(15-21(20)31-2)19-8-10-22(26-25-19)27-11-13-28(14-12-27)23(29)17-5-3-4-6-18(17)24/h3-10,15H,11-14H2,1-2H3
InChIKeyIVWVFPNNIOCPDY-UHFFFAOYSA-N
XLogP3.26
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 53.26
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-Methoxyphenyl)(4-(6-morpholinopyridazin-3-yl)piperazin-1-yl)methanone
CID 7292475
(3,4-Dimethoxyphenyl)(4-(6-morpholinopyridazin-3-yl)piperazin-1-yl)methanone
CID 7292478
3-methoxy-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
CID 7422448
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
3,4-diethoxy-N-{1-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-4-yl}benzamide
CID 75528469

Frequently Asked Questions

What is the IUPAC name of [4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-(2-fluorophenyl)methanone?
The IUPAC name of [4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-(2-fluorophenyl)methanone (CID 42110692) is [4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-(2-fluorophenyl)methanone.
What is the SMILES notation for [4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-(2-fluorophenyl)methanone?
The canonical SMILES for [4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-(2-fluorophenyl)methanone is COc1ccc(-c2ccc(N3CCN(C(=O)c4ccccc4F)CC3)nn2)cc1OC.
What is the InChIKey of [4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-(2-fluorophenyl)methanone?
The InChIKey is IVWVFPNNIOCPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O3/c1-30-20-9-7-16(15-21(20)31-2)19-8-10-22(26-25-19)27-11-13-28(14-12-27)23(29)17-5-3-4-6-18(17)24/h3-10,15H,11-14H2,1-2H3.
What are the key properties of [4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-(2-fluorophenyl)methanone?
[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-(2-fluorophenyl)methanone has a molecular weight of 422.46 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-(2-fluorophenyl)methanone is sourced from PubChem (CID 42110692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).