2-[4-[5-chloro-1-(2,4-difluorophenyl)-6-oxopyridazin-4-yl]piperazin-1-yl]-N,N-diethylacetamide

C20H24ClF2N5O2 — CID 55832917

IUPAC2-[4-[5-chloro-1-(2,4-difluorophenyl)-6-oxopyridazin-4-yl]piperazin-1-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN1CCN(c2cnn(-c3ccc(F)cc3F)c(=O)c2Cl)CC1
InChIInChI=1S/C20H24ClF2N5O2/c1-3-26(4-2)18(29)13-25-7-9-27(10-8-25)17-12-24-28(20(30)19(17)21)16-6-5-14(22)11-15(16)23/h5-6,11-12H,3-4,7-10,13H2,1-2H3
InChIKeyRBXMZSAQINTBBZ-UHFFFAOYSA-N
MW439.89 g/mol
LogP2.15
Rot. Bonds6

About 2-[4-[5-chloro-1-(2,4-difluorophenyl)-6-oxopyridazin-4-yl]piperazin-1-yl]-N,N-diethylacetamide

2-[4-[5-chloro-1-(2,4-difluorophenyl)-6-oxopyridazin-4-yl]piperazin-1-yl]-N,N-diethylacetamide (PubChem CID 55832917) has the molecular formula C20H24ClF2N5O2 and a molecular weight of 439.89 g/mol. Its IUPAC name is 2-[4-[5-chloro-1-(2,4-difluorophenyl)-6-oxopyridazin-4-yl]piperazin-1-yl]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[4-[5-chloro-1-(2,4-difluorophenyl)-6-oxopyridazin-4-yl]piperazin-1-yl]-N,N-diethylacetamide
PubChem CID55832917
Molecular FormulaC20H24ClF2N5O2
Molecular Weight439.89 g/mol
Exact Mass439.16
IUPAC Name2-[4-[5-chloro-1-(2,4-difluorophenyl)-6-oxopyridazin-4-yl]piperazin-1-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN1CCN(c2cnn(-c3ccc(F)cc3F)c(=O)c2Cl)CC1
InChIInChI=1S/C20H24ClF2N5O2/c1-3-26(4-2)18(29)13-25-7-9-27(10-8-25)17-12-24-28(20(30)19(17)21)16-6-5-14(22)11-15(16)23/h5-6,11-12H,3-4,7-10,13H2,1-2H3
InChIKeyRBXMZSAQINTBBZ-UHFFFAOYSA-N
XLogP2.15
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.89
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[5-chloro-1-(2,4-difluorophenyl)-6-oxopyridazin-4-yl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 56585217
methyl 2-[5-chloro-4-[4-[2-(diethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-6-oxopyridazin-1-yl]benzoate
CID 55601758
4-chloro-2-(2,4-difluorophenyl)-5-[4-(morpholine-4-carbonyl)piperazin-1-yl]pyridazin-3-one
CID 55832806
4-chloro-2-(2,4-difluorophenyl)-5-[(3R)-3-hydroxypiperidin-1-yl]pyridazin-3-one
CID 94174563
4-chloro-2-(2,4-difluorophenyl)-5-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]pyridazin-3-one
CID 60503924
tert-butyl N-[1-[5-chloro-1-(2,4-difluorophenyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-methylcarbamate
CID 86777153
4-chloro-2-(2,4-difluorophenyl)-5-[4-(4-methoxybenzoyl)piperidin-1-yl]pyridazin-3-one
CID 60501220
2-[[5-chloro-1-(2,4-difluorophenyl)-6-oxopyridazin-4-yl]-methylamino]-N,N-dimethylacetamide
CID 55831832
4-chloro-2-(2,4-difluorophenyl)-5-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]pyridazin-3-one
CID 133383428
4-chloro-5-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-(2,4-difluorophenyl)pyridazin-3-one
CID 133448732
N,N-diethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide chloride
CID 53346983
2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 29108150

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-chloro-1-(2,4-difluorophenyl)-6-oxopyridazin-4-yl]piperazin-1-yl]-N,N-diethylacetamide?
The IUPAC name of 2-[4-[5-chloro-1-(2,4-difluorophenyl)-6-oxopyridazin-4-yl]piperazin-1-yl]-N,N-diethylacetamide (CID 55832917) is 2-[4-[5-chloro-1-(2,4-difluorophenyl)-6-oxopyridazin-4-yl]piperazin-1-yl]-N,N-diethylacetamide.
What is the SMILES notation for 2-[4-[5-chloro-1-(2,4-difluorophenyl)-6-oxopyridazin-4-yl]piperazin-1-yl]-N,N-diethylacetamide?
The canonical SMILES for 2-[4-[5-chloro-1-(2,4-difluorophenyl)-6-oxopyridazin-4-yl]piperazin-1-yl]-N,N-diethylacetamide is CCN(CC)C(=O)CN1CCN(c2cnn(-c3ccc(F)cc3F)c(=O)c2Cl)CC1.
What is the InChIKey of 2-[4-[5-chloro-1-(2,4-difluorophenyl)-6-oxopyridazin-4-yl]piperazin-1-yl]-N,N-diethylacetamide?
The InChIKey is RBXMZSAQINTBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClF2N5O2/c1-3-26(4-2)18(29)13-25-7-9-27(10-8-25)17-12-24-28(20(30)19(17)21)16-6-5-14(22)11-15(16)23/h5-6,11-12H,3-4,7-10,13H2,1-2H3.
What are the key properties of 2-[4-[5-chloro-1-(2,4-difluorophenyl)-6-oxopyridazin-4-yl]piperazin-1-yl]-N,N-diethylacetamide?
2-[4-[5-chloro-1-(2,4-difluorophenyl)-6-oxopyridazin-4-yl]piperazin-1-yl]-N,N-diethylacetamide has a molecular weight of 439.89 g/mol, XLogP of 2.15, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-chloro-1-(2,4-difluorophenyl)-6-oxopyridazin-4-yl]piperazin-1-yl]-N,N-diethylacetamide is sourced from PubChem (CID 55832917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).