ethyl 3-(4-ethylpiperazin-1-yl)-5,6-diphenylpyridazine-4-carboxylate

C25H28N4O2 — CID 23907149

IUPACethyl 3-(4-ethylpiperazin-1-yl)-5,6-diphenylpyridazine-4-carboxylate
SMILESCCOC(=O)c1c(N2CCN(CC)CC2)nnc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C25H28N4O2/c1-3-28-15-17-29(18-16-28)24-22(25(30)31-4-2)21(19-11-7-5-8-12-19)23(26-27-24)20-13-9-6-10-14-20/h5-14H,3-4,15-18H2,1-2H3
InChIKeyJXMDAVQHOSRMNB-UHFFFAOYSA-N
MW416.53 g/mol
LogP4.13
Rot. Bonds6

About ethyl 3-(4-ethylpiperazin-1-yl)-5,6-diphenylpyridazine-4-carboxylate

ethyl 3-(4-ethylpiperazin-1-yl)-5,6-diphenylpyridazine-4-carboxylate (PubChem CID 23907149) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is ethyl 3-(4-ethylpiperazin-1-yl)-5,6-diphenylpyridazine-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-(4-ethylpiperazin-1-yl)-5,6-diphenylpyridazine-4-carboxylate
PubChem CID23907149
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC Nameethyl 3-(4-ethylpiperazin-1-yl)-5,6-diphenylpyridazine-4-carboxylate
SMILESCCOC(=O)c1c(N2CCN(CC)CC2)nnc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C25H28N4O2/c1-3-28-15-17-29(18-16-28)24-22(25(30)31-4-2)21(19-11-7-5-8-12-19)23(26-27-24)20-13-9-6-10-14-20/h5-14H,3-4,15-18H2,1-2H3
InChIKeyJXMDAVQHOSRMNB-UHFFFAOYSA-N
XLogP4.13
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-[methyl-(1-methylpiperidin-4-yl)amino]-5,6-diphenylpyridazine-4-carboxylate
CID 23994393
ethyl 3-(4-ethoxycarbonylanilino)-5,6-diphenylpyridazine-4-carboxylate
CID 23767913
ethyl 5-methyl-4-phenyl-2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate
CID 27158130
ethyl 3-[(2,6-difluorophenyl)methylsulfanyl]-5,6-diphenylpyridazine-4-carboxylate
CID 166611280
ethyl 3-oxo-2-(2-oxopropyl)-5,6-diphenylpyridazine-4-carboxylate
CID 7731874
ethyl 3-[(4-cyano-1-methylpyrazol-5-yl)amino]-5,6-diphenylpyridazine-4-carboxylate
CID 108775301
2-[(4-ethoxycarbonyl-5,6-diphenylpyridazin-3-yl)amino]-4-ethylsulfanylbutanoic acid
CID 108777947
diethyl 2-ethyl-4-methyl-6-phenylpyridine-3,5-dicarboxylate
CID 10521182
ethyl 4-phenylphthalazine-1-carboxylate
CID 102221733
diethyl 5-[3,5-bis(ethoxycarbonyl)-4-phenyl-1H-pyrrol-2-yl]-3-phenyl-1H-pyrrole-2,4-dicarboxylate
CID 11731481
ethyl 4-methyl-6-phenylpyrimidine-5-carboxylate
CID 135045794
ethyl 5-amino-3,4-diphenylthieno[2,3-c]pyridazine-6-carboxylate
CID 1241263

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-ethylpiperazin-1-yl)-5,6-diphenylpyridazine-4-carboxylate?
The IUPAC name of ethyl 3-(4-ethylpiperazin-1-yl)-5,6-diphenylpyridazine-4-carboxylate (CID 23907149) is ethyl 3-(4-ethylpiperazin-1-yl)-5,6-diphenylpyridazine-4-carboxylate.
What is the SMILES notation for ethyl 3-(4-ethylpiperazin-1-yl)-5,6-diphenylpyridazine-4-carboxylate?
The canonical SMILES for ethyl 3-(4-ethylpiperazin-1-yl)-5,6-diphenylpyridazine-4-carboxylate is CCOC(=O)c1c(N2CCN(CC)CC2)nnc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of ethyl 3-(4-ethylpiperazin-1-yl)-5,6-diphenylpyridazine-4-carboxylate?
The InChIKey is JXMDAVQHOSRMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2/c1-3-28-15-17-29(18-16-28)24-22(25(30)31-4-2)21(19-11-7-5-8-12-19)23(26-27-24)20-13-9-6-10-14-20/h5-14H,3-4,15-18H2,1-2H3.
What are the key properties of ethyl 3-(4-ethylpiperazin-1-yl)-5,6-diphenylpyridazine-4-carboxylate?
ethyl 3-(4-ethylpiperazin-1-yl)-5,6-diphenylpyridazine-4-carboxylate has a molecular weight of 416.53 g/mol, XLogP of 4.13, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-ethylpiperazin-1-yl)-5,6-diphenylpyridazine-4-carboxylate is sourced from PubChem (CID 23907149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).