6-[6-[(2R,3R)-3-hydroxy-2-methylazetidine-1-carbonyl]-5-methylpyrrolo[1,2-b]pyridazin-4-yl]oxy-N,1-dimethylindazole-3-carboxamide

C23H24N6O4 — CID 178115347

IUPAC6-[6-[(2R,3R)-3-hydroxy-2-methylazetidine-1-carbonyl]-5-methylpyrrolo[1,2-b]pyridazin-4-yl]oxy-N,1-dimethylindazole-3-carboxamide
SMILESCNC(=O)c1nn(C)c2cc(Oc3ccnn4cc(C(=O)N5C[C@@H](O)[C@H]5C)c(C)c34)ccc12
InChIInChI=1S/C23H24N6O4/c1-12-16(23(32)28-11-18(30)13(28)2)10-29-21(12)19(7-8-25-29)33-14-5-6-15-17(9-14)27(4)26-20(15)22(31)24-3/h5-10,13,18,30H,11H2,1-4H3,(H,24,31)/t13-,18-/m1/s1
InChIKeyXURXPJXJMCQMGN-FZKQIMNGSA-N
MW448.48 g/mol
LogP1.89
Rot. Bonds4

About 6-[6-[(2R,3R)-3-hydroxy-2-methylazetidine-1-carbonyl]-5-methylpyrrolo[1,2-b]pyridazin-4-yl]oxy-N,1-dimethylindazole-3-carboxamide

6-[6-[(2R,3R)-3-hydroxy-2-methylazetidine-1-carbonyl]-5-methylpyrrolo[1,2-b]pyridazin-4-yl]oxy-N,1-dimethylindazole-3-carboxamide (PubChem CID 178115347) has the molecular formula C23H24N6O4 and a molecular weight of 448.48 g/mol. Its IUPAC name is 6-[6-[(2R,3R)-3-hydroxy-2-methylazetidine-1-carbonyl]-5-methylpyrrolo[1,2-b]pyridazin-4-yl]oxy-N,1-dimethylindazole-3-carboxamide.

Molecular Properties

Compound Name6-[6-[(2R,3R)-3-hydroxy-2-methylazetidine-1-carbonyl]-5-methylpyrrolo[1,2-b]pyridazin-4-yl]oxy-N,1-dimethylindazole-3-carboxamide
PubChem CID178115347
Molecular FormulaC23H24N6O4
Molecular Weight448.48 g/mol
Exact Mass448.19
IUPAC Name6-[6-[(2R,3R)-3-hydroxy-2-methylazetidine-1-carbonyl]-5-methylpyrrolo[1,2-b]pyridazin-4-yl]oxy-N,1-dimethylindazole-3-carboxamide
SMILESCNC(=O)c1nn(C)c2cc(Oc3ccnn4cc(C(=O)N5C[C@@H](O)[C@H]5C)c(C)c34)ccc12
InChIInChI=1S/C23H24N6O4/c1-12-16(23(32)28-11-18(30)13(28)2)10-29-21(12)19(7-8-25-29)33-14-5-6-15-17(9-14)27(4)26-20(15)22(31)24-3/h5-10,13,18,30H,11H2,1-4H3,(H,24,31)/t13-,18-/m1/s1
InChIKeyXURXPJXJMCQMGN-FZKQIMNGSA-N
XLogP1.89
TPSA113.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.48
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-[6-[(2R,3R)-3-hydroxy-2-methylazetidine-1-carbonyl]-5-methylpyrrolo[1,2-b]pyridazin-4-yl]oxy-N,1-dimethylindazole-3-carboxamide with MolForge

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Related Compounds

[(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
ethane;5-[6-(3-hydroxy-2-methylazetidine-1-carbonyl)-5-methylpyrrolo[1,2-b]pyridazin-4-yl]oxy-2-methylindole-1-carbaldehyde;N-methylcyclopropanamine
CID 178114948
N,5-dimethyl-4-[[2-methyl-3-(methylcarbamoyl)-1-benzofuran-6-yl]oxy]pyrrolo[1,2-b]pyridazine-6-carboxamide
CID 178115018
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
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
[4-[3-chloro-4-(cyclopropylamino)phenoxy]-5-methylpyrrolo[1,2-b]pyridazin-6-yl]-(3-hydroxy-2-methylpyrrolidin-1-yl)methanone;formamide
CID 178115296
7-[6-[(2R,3R)-3-hydroxy-2,3-dimethylazetidine-1-carbonyl]-5-methylpyrrolo[1,2-b]pyridazin-4-yl]oxy-N,2-dimethylindolizine-3-carboxamide
CID 178115778
N,2-dimethyl-5-[5-methyl-6-[(3S)-3-methylpyrrolidine-1-carbonyl]pyrrolo[1,2-b]pyridazin-4-yl]oxyindole-1-carboxamide
CID 178114737
N,2-dimethyl-7-[5-methyl-6-(3-methylpyrrolidine-1-carbonyl)pyrrolo[1,2-b]pyridazin-4-yl]oxyindolizine-3-carboxamide
CID 178115439
[4-(1,2-dimethylindol-5-yl)oxy-5-methylpyrrolo[1,2-b]pyridazin-6-yl]-(3-methylpyrrolidin-1-yl)methanone;formamide
CID 178115170
1-cyclopropyl-3-[2-methyl-4-[5-methyl-6-(2-methylazetidine-1-carbonyl)pyrrolo[1,2-b]pyridazin-4-yl]oxyphenyl]urea
CID 178115269

Frequently Asked Questions

What is the IUPAC name of 6-[6-[(2R,3R)-3-hydroxy-2-methylazetidine-1-carbonyl]-5-methylpyrrolo[1,2-b]pyridazin-4-yl]oxy-N,1-dimethylindazole-3-carboxamide?
The IUPAC name of 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) is 6-[6-[(2R,3R)-3-hydroxy-2-methylazetidine-1-carbonyl]-5-methylpyrrolo[1,2-b]pyridazin-4-yl]oxy-N,1-dimethylindazole-3-carboxamide.
What is the SMILES notation for 6-[6-[(2R,3R)-3-hydroxy-2-methylazetidine-1-carbonyl]-5-methylpyrrolo[1,2-b]pyridazin-4-yl]oxy-N,1-dimethylindazole-3-carboxamide?
The canonical SMILES for 6-[6-[(2R,3R)-3-hydroxy-2-methylazetidine-1-carbonyl]-5-methylpyrrolo[1,2-b]pyridazin-4-yl]oxy-N,1-dimethylindazole-3-carboxamide is CNC(=O)c1nn(C)c2cc(Oc3ccnn4cc(C(=O)N5C[C@@H](O)[C@H]5C)c(C)c34)ccc12.
What is the InChIKey of 6-[6-[(2R,3R)-3-hydroxy-2-methylazetidine-1-carbonyl]-5-methylpyrrolo[1,2-b]pyridazin-4-yl]oxy-N,1-dimethylindazole-3-carboxamide?
The InChIKey is XURXPJXJMCQMGN-FZKQIMNGSA-N. The full InChI is InChI=1S/C23H24N6O4/c1-12-16(23(32)28-11-18(30)13(28)2)10-29-21(12)19(7-8-25-29)33-14-5-6-15-17(9-14)27(4)26-20(15)22(31)24-3/h5-10,13,18,30H,11H2,1-4H3,(H,24,31)/t13-,18-/m1/s1.
What are the key properties of 6-[6-[(2R,3R)-3-hydroxy-2-methylazetidine-1-carbonyl]-5-methylpyrrolo[1,2-b]pyridazin-4-yl]oxy-N,1-dimethylindazole-3-carboxamide?
6-[6-[(2R,3R)-3-hydroxy-2-methylazetidine-1-carbonyl]-5-methylpyrrolo[1,2-b]pyridazin-4-yl]oxy-N,1-dimethylindazole-3-carboxamide has a molecular weight of 448.48 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-[(2R,3R)-3-hydroxy-2-methylazetidine-1-carbonyl]-5-methylpyrrolo[1,2-b]pyridazin-4-yl]oxy-N,1-dimethylindazole-3-carboxamide is sourced from PubChem (CID 178115347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).