ethyl 2-methyl-5-[6-oxo-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-4,5-dihydro-1H-pyridazin-5-yl]-1H-pyrrole-3-carboxylate

C22H25N3O3 — CID 171984390

IUPACethyl 2-methyl-5-[6-oxo-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-4,5-dihydro-1H-pyridazin-5-yl]-1H-pyrrole-3-carboxylate
SMILESCCOC(=O)c1cc(C2CC(c3ccc4c(c3)CCCC4)=NNC2=O)[nH]c1C
InChIInChI=1S/C22H25N3O3/c1-3-28-22(27)17-11-20(23-13(17)2)18-12-19(24-25-21(18)26)16-9-8-14-6-4-5-7-15(14)10-16/h8-11,18,23H,3-7,12H2,1-2H3,(H,25,26)
InChIKeyHDHLVKFVRVXAFW-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.39
Rot. Bonds4

About ethyl 2-methyl-5-[6-oxo-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-4,5-dihydro-1H-pyridazin-5-yl]-1H-pyrrole-3-carboxylate

ethyl 2-methyl-5-[6-oxo-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-4,5-dihydro-1H-pyridazin-5-yl]-1H-pyrrole-3-carboxylate (PubChem CID 171984390) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is ethyl 2-methyl-5-[6-oxo-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-4,5-dihydro-1H-pyridazin-5-yl]-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-5-[6-oxo-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-4,5-dihydro-1H-pyridazin-5-yl]-1H-pyrrole-3-carboxylate
PubChem CID171984390
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Nameethyl 2-methyl-5-[6-oxo-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-4,5-dihydro-1H-pyridazin-5-yl]-1H-pyrrole-3-carboxylate
SMILESCCOC(=O)c1cc(C2CC(c3ccc4c(c3)CCCC4)=NNC2=O)[nH]c1C
InChIInChI=1S/C22H25N3O3/c1-3-28-22(27)17-11-20(23-13(17)2)18-12-19(24-25-21(18)26)16-9-8-14-6-4-5-7-15(14)10-16/h8-11,18,23H,3-7,12H2,1-2H3,(H,25,26)
InChIKeyHDHLVKFVRVXAFW-UHFFFAOYSA-N
XLogP3.39
TPSA83.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl 2-methyl-5-[6-oxo-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-4,5-dihydro-1H-pyridazin-5-yl]-1H-pyrrole-3-carboxylate with MolForge

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Related Compounds

ethyl 5-[3-(4-chlorophenyl)-6-oxo-4,5-dihydro-1H-pyridazin-5-yl]-2-methyl-1H-pyrrole-3-carboxylate
CID 171984391
ethyl 2-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridine-3-carboxylate
CID 71653208
ethyl 5-[4-(4-ethoxycarbonyl-5-methyl-1H-pyrrol-2-yl)phenyl]-2-methyl-1H-pyrrole-3-carboxylate
CID 135021728
diethyl 2-methyl-6-oxo-1H-pyridine-3,5-dicarboxylate
CID 754450
3-O-ethyl 2-O-methyl 5,6,7,8-tetrahydronaphthalene-2,3-dicarboxylate
CID 10611493
(5R)-3-(4-chlorophenyl)-5-(4-ethylphenyl)-4,5-dihydro-1H-pyridazin-6-one
CID 1484013
diethyl 2-methyl-5-[[6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazin-3-yl]amino]furan-3,4-dicarboxylate
CID 108776192
ethyl 5-acetyl-2-methyl-1H-pyrrole-3-carboxylate
CID 25219910
ethyl 5-methoxy-2-methyl-6-oxo-1H-pyridine-3-carboxylate
CID 69225135
ethyl 5-acetyl-6-methyl-2-sulfanylidene-1H-pyridine-3-carboxylate
CID 972820
ethyl 5-formyl-3-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 82036074
ethyl 2-methyl-5-naphthalen-2-yl-1H-pyrrole-3-carboxylate
CID 135022067

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-5-[6-oxo-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-4,5-dihydro-1H-pyridazin-5-yl]-1H-pyrrole-3-carboxylate?
The IUPAC name of ethyl 2-methyl-5-[6-oxo-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-4,5-dihydro-1H-pyridazin-5-yl]-1H-pyrrole-3-carboxylate (CID 171984390) is ethyl 2-methyl-5-[6-oxo-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-4,5-dihydro-1H-pyridazin-5-yl]-1H-pyrrole-3-carboxylate.
What is the SMILES notation for ethyl 2-methyl-5-[6-oxo-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-4,5-dihydro-1H-pyridazin-5-yl]-1H-pyrrole-3-carboxylate?
The canonical SMILES for ethyl 2-methyl-5-[6-oxo-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-4,5-dihydro-1H-pyridazin-5-yl]-1H-pyrrole-3-carboxylate is CCOC(=O)c1cc(C2CC(c3ccc4c(c3)CCCC4)=NNC2=O)[nH]c1C.
What is the InChIKey of ethyl 2-methyl-5-[6-oxo-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-4,5-dihydro-1H-pyridazin-5-yl]-1H-pyrrole-3-carboxylate?
The InChIKey is HDHLVKFVRVXAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-3-28-22(27)17-11-20(23-13(17)2)18-12-19(24-25-21(18)26)16-9-8-14-6-4-5-7-15(14)10-16/h8-11,18,23H,3-7,12H2,1-2H3,(H,25,26).
What are the key properties of ethyl 2-methyl-5-[6-oxo-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-4,5-dihydro-1H-pyridazin-5-yl]-1H-pyrrole-3-carboxylate?
ethyl 2-methyl-5-[6-oxo-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-4,5-dihydro-1H-pyridazin-5-yl]-1H-pyrrole-3-carboxylate has a molecular weight of 379.46 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-5-[6-oxo-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-4,5-dihydro-1H-pyridazin-5-yl]-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 171984390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).