ethyl 4-[6-(2-fluoroanilino)pyridazine-3-carbonyl]piperazine-1-carboxylate

C18H20FN5O3 — CID 109123887

IUPACethyl 4-[6-(2-fluoroanilino)pyridazine-3-carbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2ccc(Nc3ccccc3F)nn2)CC1
InChIInChI=1S/C18H20FN5O3/c1-2-27-18(26)24-11-9-23(10-12-24)17(25)15-7-8-16(22-21-15)20-14-6-4-3-5-13(14)19/h3-8H,2,9-12H2,1H3,(H,20,22)
InChIKeyDECVMKVDJIZTII-UHFFFAOYSA-N
MW373.39 g/mol
LogP2.27
Rot. Bonds4

About ethyl 4-[6-(2-fluoroanilino)pyridazine-3-carbonyl]piperazine-1-carboxylate

ethyl 4-[6-(2-fluoroanilino)pyridazine-3-carbonyl]piperazine-1-carboxylate (PubChem CID 109123887) has the molecular formula C18H20FN5O3 and a molecular weight of 373.39 g/mol. Its IUPAC name is ethyl 4-[6-(2-fluoroanilino)pyridazine-3-carbonyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[6-(2-fluoroanilino)pyridazine-3-carbonyl]piperazine-1-carboxylate
PubChem CID109123887
Molecular FormulaC18H20FN5O3
Molecular Weight373.39 g/mol
Exact Mass373.16
IUPAC Nameethyl 4-[6-(2-fluoroanilino)pyridazine-3-carbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2ccc(Nc3ccccc3F)nn2)CC1
InChIInChI=1S/C18H20FN5O3/c1-2-27-18(26)24-11-9-23(10-12-24)17(25)15-7-8-16(22-21-15)20-14-6-4-3-5-13(14)19/h3-8H,2,9-12H2,1H3,(H,20,22)
InChIKeyDECVMKVDJIZTII-UHFFFAOYSA-N
XLogP2.27
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[6-(2-methylanilino)pyridazine-3-carbonyl]piperazine-1-carboxylate
CID 109123868
ethyl 2-[[6-(4-ethylpiperazine-1-carbonyl)pyridazin-3-yl]amino]benzoate
CID 109116763
[6-(2-fluoroanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 109126061
1-[4-[6-(2-methylanilino)pyridazine-3-carbonyl]piperazin-1-yl]ethanone
CID 109117262
ethyl 4-(6-methylpyridazine-3-carbonyl)piperazine-1-carboxylate
CID 110705248
N-[6-(2-fluoroanilino)pyridazin-3-yl]butanamide
CID 113047136
N,N-diethyl-6-(2-fluoroanilino)pyridazine-3-carboxamide
CID 109124434
ethyl 4-[2-(2-fluoroanilino)acetyl]piperazine-1-carboxylate
CID 109003873
ethyl 4-[[6-(2-methoxyanilino)pyridazine-3-carbonyl]amino]piperidine-1-carboxylate
CID 109123792
[6-(2-chloroanilino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109111996
ethyl 4-[6-(2-chloroanilino)pyrimidine-4-carbonyl]piperazine-1-carboxylate
CID 109352879
ethyl 4-[6-(2-methoxyanilino)-2-methylpyrimidine-4-carbonyl]piperazine-1-carboxylate
CID 109373094

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[6-(2-fluoroanilino)pyridazine-3-carbonyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[6-(2-fluoroanilino)pyridazine-3-carbonyl]piperazine-1-carboxylate (CID 109123887) is ethyl 4-[6-(2-fluoroanilino)pyridazine-3-carbonyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[6-(2-fluoroanilino)pyridazine-3-carbonyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[6-(2-fluoroanilino)pyridazine-3-carbonyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)c2ccc(Nc3ccccc3F)nn2)CC1.
What is the InChIKey of ethyl 4-[6-(2-fluoroanilino)pyridazine-3-carbonyl]piperazine-1-carboxylate?
The InChIKey is DECVMKVDJIZTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5O3/c1-2-27-18(26)24-11-9-23(10-12-24)17(25)15-7-8-16(22-21-15)20-14-6-4-3-5-13(14)19/h3-8H,2,9-12H2,1H3,(H,20,22).
What are the key properties of ethyl 4-[6-(2-fluoroanilino)pyridazine-3-carbonyl]piperazine-1-carboxylate?
ethyl 4-[6-(2-fluoroanilino)pyridazine-3-carbonyl]piperazine-1-carboxylate has a molecular weight of 373.39 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[6-(2-fluoroanilino)pyridazine-3-carbonyl]piperazine-1-carboxylate is sourced from PubChem (CID 109123887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).