4-[7-[3-(methylcarbamoyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]pyridine-2-carboxylic acid

C20H15N5O3 — CID 141367130

IUPAC4-[7-[3-(methylcarbamoyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]pyridine-2-carboxylic acid
SMILESCNC(=O)c1cccc(-c2cnn3c(-c4ccnc(C(=O)O)c4)cnc3c2)c1
InChIInChI=1S/C20H15N5O3/c1-21-19(26)14-4-2-3-12(7-14)15-9-18-23-11-17(25(18)24-10-15)13-5-6-22-16(8-13)20(27)28/h2-11H,1H3,(H,21,26)(H,27,28)
InChIKeyPMGTZODCGQBSRI-UHFFFAOYSA-N
MW373.37 g/mol
LogP2.52
Rot. Bonds4

About 4-[7-[3-(methylcarbamoyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]pyridine-2-carboxylic acid

4-[7-[3-(methylcarbamoyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]pyridine-2-carboxylic acid (PubChem CID 141367130) has the molecular formula C20H15N5O3 and a molecular weight of 373.37 g/mol. Its IUPAC name is 4-[7-[3-(methylcarbamoyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[7-[3-(methylcarbamoyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]pyridine-2-carboxylic acid
PubChem CID141367130
Molecular FormulaC20H15N5O3
Molecular Weight373.37 g/mol
Exact Mass373.12
IUPAC Name4-[7-[3-(methylcarbamoyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]pyridine-2-carboxylic acid
SMILESCNC(=O)c1cccc(-c2cnn3c(-c4ccnc(C(=O)O)c4)cnc3c2)c1
InChIInChI=1S/C20H15N5O3/c1-21-19(26)14-4-2-3-12(7-14)15-9-18-23-11-17(25(18)24-10-15)13-5-6-22-16(8-13)20(27)28/h2-11H,1H3,(H,21,26)(H,27,28)
InChIKeyPMGTZODCGQBSRI-UHFFFAOYSA-N
XLogP2.52
TPSA109.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.37
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[7-[3-(methylcarbamoyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]pyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-bromoimidazo[1,2-b]pyridazin-7-yl)-N-methylbenzamide;3-imidazo[1,2-b]pyridazin-7-yl-N-methylbenzamide
CID 159349531
3-imidazo[1,2-b]pyridazin-7-yl-N-methylbenzamide
CID 59443501
1-[3-(7-pyridin-3-ylimidazo[1,2-b]pyridazin-3-yl)phenyl]ethanone
CID 25174294
3-[2-amino-3-(2-chloro-4-pyridinyl)imidazo[1,2-b]pyridazin-7-yl]-N-methylbenzamide
CID 59443502
4-(3-acetylphenyl)pyridine-2-carboxylic acid
CID 53223096
ethyl 4-[3-(2-phenyl-4-pyridinyl)imidazo[1,2-b]pyridazin-7-yl]benzoate
CID 25176705
3-[3-[2-(cyclopropylamino)-6-phenyl-4-pyridinyl]imidazo[1,2-a]pyridin-7-yl]-N-methylbenzamide
CID 25261428
3-[3-[3-[2-(dimethylamino)ethylcarbamoyl]phenyl]imidazo[1,2-b]pyridazin-6-yl]-N-methylbenzamide
CID 71729713
N-methyl-3-(3-methylimidazo[1,2-b]pyridazin-6-yl)benzamide
CID 156515455
N-methyl-3-[7-(1-methylpyrazol-4-yl)-6-[(3S)-oxolan-3-yl]oxyimidazo[1,2-b]pyridazin-3-yl]benzamide
CID 162265809
N-(furan-2-ylmethyl)-3-imidazo[1,2-b]pyridazin-3-ylbenzamide
CID 90480126
N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-3-imidazo[1,2-b]pyridazin-3-ylbenzamide
CID 122561377

Frequently Asked Questions

What is the IUPAC name of 4-[7-[3-(methylcarbamoyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]pyridine-2-carboxylic acid?
The IUPAC name of 4-[7-[3-(methylcarbamoyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]pyridine-2-carboxylic acid (CID 141367130) is 4-[7-[3-(methylcarbamoyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[7-[3-(methylcarbamoyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[7-[3-(methylcarbamoyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]pyridine-2-carboxylic acid is CNC(=O)c1cccc(-c2cnn3c(-c4ccnc(C(=O)O)c4)cnc3c2)c1.
What is the InChIKey of 4-[7-[3-(methylcarbamoyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]pyridine-2-carboxylic acid?
The InChIKey is PMGTZODCGQBSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O3/c1-21-19(26)14-4-2-3-12(7-14)15-9-18-23-11-17(25(18)24-10-15)13-5-6-22-16(8-13)20(27)28/h2-11H,1H3,(H,21,26)(H,27,28).
What are the key properties of 4-[7-[3-(methylcarbamoyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]pyridine-2-carboxylic acid?
4-[7-[3-(methylcarbamoyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]pyridine-2-carboxylic acid has a molecular weight of 373.37 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-[3-(methylcarbamoyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 141367130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).