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

C26H28N4O3 — CID 178115689

IUPAC6-(6-formyl-5-methylpyrrolo[1,2-b]pyridazin-4-yl)oxy-N-methylnaphthalene-1-carboxamide;1-methylpyrrolidine
SMILESCN1CCCC1.CNC(=O)c1cccc2cc(Oc3ccnn4cc(C=O)c(C)c34)ccc12
InChIInChI=1S/C21H17N3O3.C5H11N/c1-13-15(12-25)11-24-20(13)19(8-9-23-24)27-16-6-7-17-14(10-16)4-3-5-18(17)21(26)22-2;1-6-4-2-3-5-6/h3-12H,1-2H3,(H,22,26);2-5H2,1H3
InChIKeyNZVDYCOSHLRBTH-UHFFFAOYSA-N
MW444.54 g/mol
LogP4.47
Rot. Bonds4

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

6-(6-formyl-5-methylpyrrolo[1,2-b]pyridazin-4-yl)oxy-N-methylnaphthalene-1-carboxamide;1-methylpyrrolidine (PubChem CID 178115689) has the molecular formula C26H28N4O3 and a molecular weight of 444.54 g/mol. Its IUPAC name is 6-(6-formyl-5-methylpyrrolo[1,2-b]pyridazin-4-yl)oxy-N-methylnaphthalene-1-carboxamide;1-methylpyrrolidine.

Molecular Properties

Compound Name6-(6-formyl-5-methylpyrrolo[1,2-b]pyridazin-4-yl)oxy-N-methylnaphthalene-1-carboxamide;1-methylpyrrolidine
PubChem CID178115689
Molecular FormulaC26H28N4O3
Molecular Weight444.54 g/mol
Exact Mass444.22
IUPAC Name6-(6-formyl-5-methylpyrrolo[1,2-b]pyridazin-4-yl)oxy-N-methylnaphthalene-1-carboxamide;1-methylpyrrolidine
SMILESCN1CCCC1.CNC(=O)c1cccc2cc(Oc3ccnn4cc(C=O)c(C)c34)ccc12
InChIInChI=1S/C21H17N3O3.C5H11N/c1-13-15(12-25)11-24-20(13)19(8-9-23-24)27-16-6-7-17-14(10-16)4-3-5-18(17)21(26)22-2;1-6-4-2-3-5-6/h3-12H,1-2H3,(H,22,26);2-5H2,1H3
InChIKeyNZVDYCOSHLRBTH-UHFFFAOYSA-N
XLogP4.47
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-cyclobutyl-6-[6-[(2R,3R)-3-hydroxy-2-methylpyrrolidine-1-carbonyl]-5-methylpyrrolo[1,2-b]pyridazin-4-yl]oxynaphthalene-1-carboxamide
CID 178115558
3-[[amino-[(Z)-2-aminoethenyl]amino]methyl]-1-methylpyrrolidin-3-ol;6-(6-formyl-5-methylpyrrolo[1,2-b]pyridazin-4-yl)oxy-N,2-dimethyl-1-benzofuran-3-carboxamide
CID 178115136
6-(6-formyl-5-methylpyrrolo[1,2-b]pyridazin-4-yl)oxy-N,2-dimethylindolizine-1-carboxamide
CID 178115616
N,5-dimethyl-4-[[2-methyl-3-(methylcarbamoyl)-1-benzofuran-6-yl]oxy]pyrrolo[1,2-b]pyridazine-6-carboxamide
CID 178115018
6-[6-(dihydroxymethyl)-5-methylpyrrolo[1,2-b]pyridazin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide
CID 178115189
6-(5,6-dimethylpyrrolo[1,2-b]pyridazin-4-yl)oxy-2-methyl-1-benzofuran-3-carbaldehyde
CID 178114752
6-[6-[(2R,3R)-3-hydroxy-2-methylazetidine-1-carbonyl]-5-methylpyrrolo[1,2-b]pyridazin-4-yl]oxy-N,1-dimethylindazole-3-carboxamide
CID 178115347
6-[6-(8-azabicyclo[3.2.1]octane-3-carbonyl)-5-methylpyrrolo[1,2-b]pyridazin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide
CID 178114805
6-[6-[3-[[(Z)-3-aminoprop-2-enylidene]amino]azetidine-1-carbonyl]-5-methylpyrrolo[1,2-b]pyridazin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide
CID 178114893
N-methyl-6-[[2-[[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide
CID 149020965
N-cyclobutyl-N,5-dimethyl-4-[2-methyl-1-(methylcarbamoyl)indol-5-yl]oxypyrrolo[1,2-b]pyridazine-6-carboxamide
CID 178115223
6-[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]oxy-N-methylnaphthalene-1-carboxamide
CID 25031916

Frequently Asked Questions

What is the IUPAC name of 6-(6-formyl-5-methylpyrrolo[1,2-b]pyridazin-4-yl)oxy-N-methylnaphthalene-1-carboxamide;1-methylpyrrolidine?
The IUPAC name of 6-(6-formyl-5-methylpyrrolo[1,2-b]pyridazin-4-yl)oxy-N-methylnaphthalene-1-carboxamide;1-methylpyrrolidine (CID 178115689) is 6-(6-formyl-5-methylpyrrolo[1,2-b]pyridazin-4-yl)oxy-N-methylnaphthalene-1-carboxamide;1-methylpyrrolidine.
What is the SMILES notation for 6-(6-formyl-5-methylpyrrolo[1,2-b]pyridazin-4-yl)oxy-N-methylnaphthalene-1-carboxamide;1-methylpyrrolidine?
The canonical SMILES for 6-(6-formyl-5-methylpyrrolo[1,2-b]pyridazin-4-yl)oxy-N-methylnaphthalene-1-carboxamide;1-methylpyrrolidine is CN1CCCC1.CNC(=O)c1cccc2cc(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-methylnaphthalene-1-carboxamide;1-methylpyrrolidine?
The InChIKey is NZVDYCOSHLRBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3.C5H11N/c1-13-15(12-25)11-24-20(13)19(8-9-23-24)27-16-6-7-17-14(10-16)4-3-5-18(17)21(26)22-2;1-6-4-2-3-5-6/h3-12H,1-2H3,(H,22,26);2-5H2,1H3.
What are the key properties of 6-(6-formyl-5-methylpyrrolo[1,2-b]pyridazin-4-yl)oxy-N-methylnaphthalene-1-carboxamide;1-methylpyrrolidine?
6-(6-formyl-5-methylpyrrolo[1,2-b]pyridazin-4-yl)oxy-N-methylnaphthalene-1-carboxamide;1-methylpyrrolidine has a molecular weight of 444.54 g/mol, XLogP of 4.47, 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-methylnaphthalene-1-carboxamide;1-methylpyrrolidine is sourced from PubChem (CID 178115689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).