N,5-dimethyl-4-[[2-methyl-3-(methylcarbamoyl)-1-benzofuran-6-yl]oxy]pyrrolo[1,2-b]pyridazine-6-carboxamide

C21H20N4O4 — CID 178115018

IUPACN,5-dimethyl-4-[[2-methyl-3-(methylcarbamoyl)-1-benzofuran-6-yl]oxy]pyrrolo[1,2-b]pyridazine-6-carboxamide
SMILESCNC(=O)c1cn2nccc(Oc3ccc4c(C(=O)NC)c(C)oc4c3)c2c1C
InChIInChI=1S/C21H20N4O4/c1-11-15(20(26)22-3)10-25-19(11)16(7-8-24-25)29-13-5-6-14-17(9-13)28-12(2)18(14)21(27)23-4/h5-10H,1-4H3,(H,22,26)(H,23,27)
InChIKeyVWHBLVCURLRANP-UHFFFAOYSA-N
MW392.42 g/mol
LogP3.21
Rot. Bonds4

About N,5-dimethyl-4-[[2-methyl-3-(methylcarbamoyl)-1-benzofuran-6-yl]oxy]pyrrolo[1,2-b]pyridazine-6-carboxamide

N,5-dimethyl-4-[[2-methyl-3-(methylcarbamoyl)-1-benzofuran-6-yl]oxy]pyrrolo[1,2-b]pyridazine-6-carboxamide (PubChem CID 178115018) has the molecular formula C21H20N4O4 and a molecular weight of 392.42 g/mol. Its IUPAC name is N,5-dimethyl-4-[[2-methyl-3-(methylcarbamoyl)-1-benzofuran-6-yl]oxy]pyrrolo[1,2-b]pyridazine-6-carboxamide.

Molecular Properties

Compound NameN,5-dimethyl-4-[[2-methyl-3-(methylcarbamoyl)-1-benzofuran-6-yl]oxy]pyrrolo[1,2-b]pyridazine-6-carboxamide
PubChem CID178115018
Molecular FormulaC21H20N4O4
Molecular Weight392.42 g/mol
Exact Mass392.15
IUPAC NameN,5-dimethyl-4-[[2-methyl-3-(methylcarbamoyl)-1-benzofuran-6-yl]oxy]pyrrolo[1,2-b]pyridazine-6-carboxamide
SMILESCNC(=O)c1cn2nccc(Oc3ccc4c(C(=O)NC)c(C)oc4c3)c2c1C
InChIInChI=1S/C21H20N4O4/c1-11-15(20(26)22-3)10-25-19(11)16(7-8-24-25)29-13-5-6-14-17(9-13)28-12(2)18(14)21(27)23-4/h5-10H,1-4H3,(H,22,26)(H,23,27)
InChIKeyVWHBLVCURLRANP-UHFFFAOYSA-N
XLogP3.21
TPSA97.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-[6-(dihydroxymethyl)-5-methylpyrrolo[1,2-b]pyridazin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide
CID 178115189
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
[(Z)-[amino-[6-[6-[(2R,3R)-3-hydroxy-2-methylazetidine-1-carbonyl]-5-methylpyrrolo[1,2-b]pyridazin-4-yl]oxy-2-methyl-1-benzofuran-3-yl]methylidene]amino] hypofluorite
CID 178114753
6-(7-hydroxyquinolin-4-yl)oxy-N,2-dimethyl-1-benzofuran-3-carboxamide
CID 135507449
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
2-[4-[[2-methyl-3-(methylcarbamoyl)-1-benzofuran-6-yl]oxy]quinolin-7-yl]oxyacetic acid
CID 11165656
6-(5,6-dimethylpyrrolo[1,2-b]pyridazin-4-yl)oxy-2-methyl-1-benzofuran-3-carbaldehyde
CID 178114752
6-(5,6-dimethylpyrrolo[1,2-b]pyridazin-4-yl)oxy-2-methyl-N-(thietan-3-yl)-1-benzofuran-3-carboxamide;3-hydroxy-3-methylpyrrolidine-1-carbaldehyde
CID 178114798
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-formyl-5-methylpyrrolo[1,2-b]pyridazin-4-yl)oxy-N-methylnaphthalene-1-carboxamide;1-methylpyrrolidine
CID 178115689
6-ethoxy-N,2-dimethyl-1-benzofuran-3-carboxamide
CID 178114801

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-4-[[2-methyl-3-(methylcarbamoyl)-1-benzofuran-6-yl]oxy]pyrrolo[1,2-b]pyridazine-6-carboxamide?
The IUPAC name of N,5-dimethyl-4-[[2-methyl-3-(methylcarbamoyl)-1-benzofuran-6-yl]oxy]pyrrolo[1,2-b]pyridazine-6-carboxamide (CID 178115018) is N,5-dimethyl-4-[[2-methyl-3-(methylcarbamoyl)-1-benzofuran-6-yl]oxy]pyrrolo[1,2-b]pyridazine-6-carboxamide.
What is the SMILES notation for N,5-dimethyl-4-[[2-methyl-3-(methylcarbamoyl)-1-benzofuran-6-yl]oxy]pyrrolo[1,2-b]pyridazine-6-carboxamide?
The canonical SMILES for N,5-dimethyl-4-[[2-methyl-3-(methylcarbamoyl)-1-benzofuran-6-yl]oxy]pyrrolo[1,2-b]pyridazine-6-carboxamide is CNC(=O)c1cn2nccc(Oc3ccc4c(C(=O)NC)c(C)oc4c3)c2c1C.
What is the InChIKey of N,5-dimethyl-4-[[2-methyl-3-(methylcarbamoyl)-1-benzofuran-6-yl]oxy]pyrrolo[1,2-b]pyridazine-6-carboxamide?
The InChIKey is VWHBLVCURLRANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O4/c1-11-15(20(26)22-3)10-25-19(11)16(7-8-24-25)29-13-5-6-14-17(9-13)28-12(2)18(14)21(27)23-4/h5-10H,1-4H3,(H,22,26)(H,23,27).
What are the key properties of N,5-dimethyl-4-[[2-methyl-3-(methylcarbamoyl)-1-benzofuran-6-yl]oxy]pyrrolo[1,2-b]pyridazine-6-carboxamide?
N,5-dimethyl-4-[[2-methyl-3-(methylcarbamoyl)-1-benzofuran-6-yl]oxy]pyrrolo[1,2-b]pyridazine-6-carboxamide has a molecular weight of 392.42 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-4-[[2-methyl-3-(methylcarbamoyl)-1-benzofuran-6-yl]oxy]pyrrolo[1,2-b]pyridazine-6-carboxamide is sourced from PubChem (CID 178115018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).