6-(6-formyl-5-methylpyrrolo[1,2-b]pyridazin-4-yl)oxy-N,2-dimethylindolizine-1-carboxamide

C20H18N4O3 — CID 178115616

IUPAC6-(6-formyl-5-methylpyrrolo[1,2-b]pyridazin-4-yl)oxy-N,2-dimethylindolizine-1-carboxamide
SMILESCNC(=O)c1c(C)cn2cc(Oc3ccnn4cc(C=O)c(C)c34)ccc12
InChIInChI=1S/C20H18N4O3/c1-12-8-23-10-15(4-5-16(23)18(12)20(26)21-3)27-17-6-7-22-24-9-14(11-25)13(2)19(17)24/h4-11H,1-3H3,(H,21,26)
InChIKeyYCWJIVZBIBFOMP-UHFFFAOYSA-N
MW362.39 g/mol
LogP3.17
Rot. Bonds4

About 6-(6-formyl-5-methylpyrrolo[1,2-b]pyridazin-4-yl)oxy-N,2-dimethylindolizine-1-carboxamide

6-(6-formyl-5-methylpyrrolo[1,2-b]pyridazin-4-yl)oxy-N,2-dimethylindolizine-1-carboxamide (PubChem CID 178115616) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is 6-(6-formyl-5-methylpyrrolo[1,2-b]pyridazin-4-yl)oxy-N,2-dimethylindolizine-1-carboxamide.

Molecular Properties

Compound Name6-(6-formyl-5-methylpyrrolo[1,2-b]pyridazin-4-yl)oxy-N,2-dimethylindolizine-1-carboxamide
PubChem CID178115616
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC Name6-(6-formyl-5-methylpyrrolo[1,2-b]pyridazin-4-yl)oxy-N,2-dimethylindolizine-1-carboxamide
SMILESCNC(=O)c1c(C)cn2cc(Oc3ccnn4cc(C=O)c(C)c34)ccc12
InChIInChI=1S/C20H18N4O3/c1-12-8-23-10-15(4-5-16(23)18(12)20(26)21-3)27-17-6-7-22-24-9-14(11-25)13(2)19(17)24/h4-11H,1-3H3,(H,21,26)
InChIKeyYCWJIVZBIBFOMP-UHFFFAOYSA-N
XLogP3.17
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(6-formyl-5-methylpyrrolo[1,2-b]pyridazin-4-yl)oxy-N,2-dimethylindolizine-1-carboxamide?
The IUPAC name of 6-(6-formyl-5-methylpyrrolo[1,2-b]pyridazin-4-yl)oxy-N,2-dimethylindolizine-1-carboxamide (CID 178115616) is 6-(6-formyl-5-methylpyrrolo[1,2-b]pyridazin-4-yl)oxy-N,2-dimethylindolizine-1-carboxamide.
What is the SMILES notation for 6-(6-formyl-5-methylpyrrolo[1,2-b]pyridazin-4-yl)oxy-N,2-dimethylindolizine-1-carboxamide?
The canonical SMILES for 6-(6-formyl-5-methylpyrrolo[1,2-b]pyridazin-4-yl)oxy-N,2-dimethylindolizine-1-carboxamide is CNC(=O)c1c(C)cn2cc(Oc3ccnn4cc(C=O)c(C)c34)ccc12.
What is the InChIKey of 6-(6-formyl-5-methylpyrrolo[1,2-b]pyridazin-4-yl)oxy-N,2-dimethylindolizine-1-carboxamide?
The InChIKey is YCWJIVZBIBFOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3/c1-12-8-23-10-15(4-5-16(23)18(12)20(26)21-3)27-17-6-7-22-24-9-14(11-25)13(2)19(17)24/h4-11H,1-3H3,(H,21,26).
What are the key properties of 6-(6-formyl-5-methylpyrrolo[1,2-b]pyridazin-4-yl)oxy-N,2-dimethylindolizine-1-carboxamide?
6-(6-formyl-5-methylpyrrolo[1,2-b]pyridazin-4-yl)oxy-N,2-dimethylindolizine-1-carboxamide has a molecular weight of 362.39 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-formyl-5-methylpyrrolo[1,2-b]pyridazin-4-yl)oxy-N,2-dimethylindolizine-1-carboxamide is sourced from PubChem (CID 178115616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).