4-(4-anilinoanilino)pyrrolo[1,2-b]pyridazine-6-carboxylic acid

C20H16N4O2 — CID 91243629

IUPAC4-(4-anilinoanilino)pyrrolo[1,2-b]pyridazine-6-carboxylic acid
SMILESO=C(O)c1cc2c(Nc3ccc(Nc4ccccc4)cc3)ccnn2c1
InChIInChI=1S/C20H16N4O2/c25-20(26)14-12-19-18(10-11-21-24(19)13-14)23-17-8-6-16(7-9-17)22-15-4-2-1-3-5-15/h1-13,22-23H,(H,25,26)
InChIKeyQLGOUBXVYKVBJL-UHFFFAOYSA-N
MW344.37 g/mol
LogP4.52
Rot. Bonds5

About 4-(4-anilinoanilino)pyrrolo[1,2-b]pyridazine-6-carboxylic acid

4-(4-anilinoanilino)pyrrolo[1,2-b]pyridazine-6-carboxylic acid (PubChem CID 91243629) has the molecular formula C20H16N4O2 and a molecular weight of 344.37 g/mol. Its IUPAC name is 4-(4-anilinoanilino)pyrrolo[1,2-b]pyridazine-6-carboxylic acid.

Molecular Properties

Compound Name4-(4-anilinoanilino)pyrrolo[1,2-b]pyridazine-6-carboxylic acid
PubChem CID91243629
Molecular FormulaC20H16N4O2
Molecular Weight344.37 g/mol
Exact Mass344.13
IUPAC Name4-(4-anilinoanilino)pyrrolo[1,2-b]pyridazine-6-carboxylic acid
SMILESO=C(O)c1cc2c(Nc3ccc(Nc4ccccc4)cc3)ccnn2c1
InChIInChI=1S/C20H16N4O2/c25-20(26)14-12-19-18(10-11-21-24(19)13-14)23-17-8-6-16(7-9-17)22-15-4-2-1-3-5-15/h1-13,22-23H,(H,25,26)
InChIKeyQLGOUBXVYKVBJL-UHFFFAOYSA-N
XLogP4.52
TPSA78.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 54.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-indazol-1-ylpyrrolo[1,2-b]pyridazine-6-carboxylic acid
CID 91601147
4-(pyridin-3-ylamino)benzoic acid
CID 62231528
4-chloropyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid
CID 154729332
4-anilino-3-phenylmethoxybenzoic acid
CID 123431173
6-anilinoimidazo[1,2-a]pyridine-2-carboxylic acid
CID 138634473
2-anilinobenzoic acid;N-phenylaniline
CID 68732454
4-anilino-3-nitrobenzoic acid
CID 3824366
4-[4-(pyridin-4-ylmethyl)anilino]benzoic acid
CID 110452968
4-(2-fluoroanilino)benzoic acid
CID 62231206
N-[2-fluoro-4-(pyridin-4-ylamino)phenyl]benzamide
CID 175848692
3-amino-4-[(1-methylpyrazol-4-yl)amino]benzoic acid
CID 54888093
3-chloro-4-(pyrazolo[1,5-a]pyrazin-4-ylamino)benzoic acid
CID 104729560

Frequently Asked Questions

What is the IUPAC name of 4-(4-anilinoanilino)pyrrolo[1,2-b]pyridazine-6-carboxylic acid?
The IUPAC name of 4-(4-anilinoanilino)pyrrolo[1,2-b]pyridazine-6-carboxylic acid (CID 91243629) is 4-(4-anilinoanilino)pyrrolo[1,2-b]pyridazine-6-carboxylic acid.
What is the SMILES notation for 4-(4-anilinoanilino)pyrrolo[1,2-b]pyridazine-6-carboxylic acid?
The canonical SMILES for 4-(4-anilinoanilino)pyrrolo[1,2-b]pyridazine-6-carboxylic acid is O=C(O)c1cc2c(Nc3ccc(Nc4ccccc4)cc3)ccnn2c1.
What is the InChIKey of 4-(4-anilinoanilino)pyrrolo[1,2-b]pyridazine-6-carboxylic acid?
The InChIKey is QLGOUBXVYKVBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2/c25-20(26)14-12-19-18(10-11-21-24(19)13-14)23-17-8-6-16(7-9-17)22-15-4-2-1-3-5-15/h1-13,22-23H,(H,25,26).
What are the key properties of 4-(4-anilinoanilino)pyrrolo[1,2-b]pyridazine-6-carboxylic acid?
4-(4-anilinoanilino)pyrrolo[1,2-b]pyridazine-6-carboxylic acid has a molecular weight of 344.37 g/mol, XLogP of 4.52, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-anilinoanilino)pyrrolo[1,2-b]pyridazine-6-carboxylic acid is sourced from PubChem (CID 91243629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).