ethyl 6-methyl-7-(morpholine-4-carbonyl)pyrrolo[1,2-b]pyridazine-5-carboxylate

C16H19N3O4 — CID 90461495

IUPACethyl 6-methyl-7-(morpholine-4-carbonyl)pyrrolo[1,2-b]pyridazine-5-carboxylate
SMILESCCOC(=O)c1c(C)c(C(=O)N2CCOCC2)n2ncccc12
InChIInChI=1S/C16H19N3O4/c1-3-23-16(21)13-11(2)14(19-12(13)5-4-6-17-19)15(20)18-7-9-22-10-8-18/h4-6H,3,7-10H2,1-2H3
InChIKeyAWHICIPFEGTDBY-UHFFFAOYSA-N
MW317.35 g/mol
LogP1.29
Rot. Bonds3

About ethyl 6-methyl-7-(morpholine-4-carbonyl)pyrrolo[1,2-b]pyridazine-5-carboxylate

ethyl 6-methyl-7-(morpholine-4-carbonyl)pyrrolo[1,2-b]pyridazine-5-carboxylate (PubChem CID 90461495) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is ethyl 6-methyl-7-(morpholine-4-carbonyl)pyrrolo[1,2-b]pyridazine-5-carboxylate.

Molecular Properties

Compound Nameethyl 6-methyl-7-(morpholine-4-carbonyl)pyrrolo[1,2-b]pyridazine-5-carboxylate
PubChem CID90461495
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC Nameethyl 6-methyl-7-(morpholine-4-carbonyl)pyrrolo[1,2-b]pyridazine-5-carboxylate
SMILESCCOC(=O)c1c(C)c(C(=O)N2CCOCC2)n2ncccc12
InChIInChI=1S/C16H19N3O4/c1-3-23-16(21)13-11(2)14(19-12(13)5-4-6-17-19)15(20)18-7-9-22-10-8-18/h4-6H,3,7-10H2,1-2H3
InChIKeyAWHICIPFEGTDBY-UHFFFAOYSA-N
XLogP1.29
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-methyl-7-(morpholine-4-carbonyl)pyrrolo[1,2-b]pyridazine-5-carboxylate?
The IUPAC name of ethyl 6-methyl-7-(morpholine-4-carbonyl)pyrrolo[1,2-b]pyridazine-5-carboxylate (CID 90461495) is ethyl 6-methyl-7-(morpholine-4-carbonyl)pyrrolo[1,2-b]pyridazine-5-carboxylate.
What is the SMILES notation for ethyl 6-methyl-7-(morpholine-4-carbonyl)pyrrolo[1,2-b]pyridazine-5-carboxylate?
The canonical SMILES for ethyl 6-methyl-7-(morpholine-4-carbonyl)pyrrolo[1,2-b]pyridazine-5-carboxylate is CCOC(=O)c1c(C)c(C(=O)N2CCOCC2)n2ncccc12.
What is the InChIKey of ethyl 6-methyl-7-(morpholine-4-carbonyl)pyrrolo[1,2-b]pyridazine-5-carboxylate?
The InChIKey is AWHICIPFEGTDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-3-23-16(21)13-11(2)14(19-12(13)5-4-6-17-19)15(20)18-7-9-22-10-8-18/h4-6H,3,7-10H2,1-2H3.
What are the key properties of ethyl 6-methyl-7-(morpholine-4-carbonyl)pyrrolo[1,2-b]pyridazine-5-carboxylate?
ethyl 6-methyl-7-(morpholine-4-carbonyl)pyrrolo[1,2-b]pyridazine-5-carboxylate has a molecular weight of 317.35 g/mol, XLogP of 1.29, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methyl-7-(morpholine-4-carbonyl)pyrrolo[1,2-b]pyridazine-5-carboxylate is sourced from PubChem (CID 90461495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).