ethyl 6-ethyl-3-methyl-7-oxo-4-phenyl-1H-pyrrolo[2,3-d]pyridazine-2-carboxylate

C18H19N3O3 — CID 135436358

IUPACethyl 6-ethyl-3-methyl-7-oxo-4-phenyl-1H-pyrrolo[2,3-d]pyridazine-2-carboxylate
SMILESCCOC(=O)c1[nH]c2c(=O)n(CC)nc(-c3ccccc3)c2c1C
InChIInChI=1S/C18H19N3O3/c1-4-21-17(22)16-13(11(3)14(19-16)18(23)24-5-2)15(20-21)12-9-7-6-8-10-12/h6-10,19H,4-5H2,1-3H3
InChIKeyWQNMIKTWUSWXJP-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.90
Rot. Bonds4

About ethyl 6-ethyl-3-methyl-7-oxo-4-phenyl-1H-pyrrolo[2,3-d]pyridazine-2-carboxylate

ethyl 6-ethyl-3-methyl-7-oxo-4-phenyl-1H-pyrrolo[2,3-d]pyridazine-2-carboxylate (PubChem CID 135436358) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is ethyl 6-ethyl-3-methyl-7-oxo-4-phenyl-1H-pyrrolo[2,3-d]pyridazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-ethyl-3-methyl-7-oxo-4-phenyl-1H-pyrrolo[2,3-d]pyridazine-2-carboxylate
PubChem CID135436358
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Nameethyl 6-ethyl-3-methyl-7-oxo-4-phenyl-1H-pyrrolo[2,3-d]pyridazine-2-carboxylate
SMILESCCOC(=O)c1[nH]c2c(=O)n(CC)nc(-c3ccccc3)c2c1C
InChIInChI=1S/C18H19N3O3/c1-4-21-17(22)16-13(11(3)14(19-16)18(23)24-5-2)15(20-21)12-9-7-6-8-10-12/h6-10,19H,4-5H2,1-3H3
InChIKeyWQNMIKTWUSWXJP-UHFFFAOYSA-N
XLogP2.90
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-methyl-7-oxo-4-phenyl-6-propylthieno[2,3-d]pyridazine-2-carboxylate
CID 10760728
ethane;ethyl 4-methyl-3-phenyl-1H-pyrazole-5-carboxylate
CID 171093697
ethyl 3-oxo-2-(2-oxopropyl)-5,6-diphenylpyridazine-4-carboxylate
CID 7731874
(5-amino-1-ethyl-6-oxo-3-phenylpyridazin-4-yl)methyl acetate
CID 68897694
ethyl 4-(aminomethyl)-3-phenyl-1H-pyrazole-5-carboxylate
CID 91501788
ethyl 6-methyl-2-oxo-4-phenyl-1H-pyrimidine-5-carboxylate
CID 2763693
ethyl 1-methyl-3-phenylpyrazole-4-carboxylate
CID 14003898
ethyl 2-phenacyl-4-phenyl-1H-imidazole-5-carboxylate
CID 134910208
ethyl 4-(4-methoxyphenyl)-2-phenyl-1H-imidazole-5-carboxylate
CID 44605731
ethyl 4-oxo-3-phenyl-1H-chromeno[4,3-b]pyrrole-2-carboxylate
CID 53377063
ethyl 2-ethyl-4-methyl-6-phenylpyrimidine-5-carboxylate
CID 139241104
ethyl 1-ethyl-4-[(4-fluorophenyl)sulfonylmethylamino]-3-phenylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 22322102

Frequently Asked Questions

What is the IUPAC name of ethyl 6-ethyl-3-methyl-7-oxo-4-phenyl-1H-pyrrolo[2,3-d]pyridazine-2-carboxylate?
The IUPAC name of ethyl 6-ethyl-3-methyl-7-oxo-4-phenyl-1H-pyrrolo[2,3-d]pyridazine-2-carboxylate (CID 135436358) is ethyl 6-ethyl-3-methyl-7-oxo-4-phenyl-1H-pyrrolo[2,3-d]pyridazine-2-carboxylate.
What is the SMILES notation for ethyl 6-ethyl-3-methyl-7-oxo-4-phenyl-1H-pyrrolo[2,3-d]pyridazine-2-carboxylate?
The canonical SMILES for ethyl 6-ethyl-3-methyl-7-oxo-4-phenyl-1H-pyrrolo[2,3-d]pyridazine-2-carboxylate is CCOC(=O)c1[nH]c2c(=O)n(CC)nc(-c3ccccc3)c2c1C.
What is the InChIKey of ethyl 6-ethyl-3-methyl-7-oxo-4-phenyl-1H-pyrrolo[2,3-d]pyridazine-2-carboxylate?
The InChIKey is WQNMIKTWUSWXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-4-21-17(22)16-13(11(3)14(19-16)18(23)24-5-2)15(20-21)12-9-7-6-8-10-12/h6-10,19H,4-5H2,1-3H3.
What are the key properties of ethyl 6-ethyl-3-methyl-7-oxo-4-phenyl-1H-pyrrolo[2,3-d]pyridazine-2-carboxylate?
ethyl 6-ethyl-3-methyl-7-oxo-4-phenyl-1H-pyrrolo[2,3-d]pyridazine-2-carboxylate has a molecular weight of 325.37 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-ethyl-3-methyl-7-oxo-4-phenyl-1H-pyrrolo[2,3-d]pyridazine-2-carboxylate is sourced from PubChem (CID 135436358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).