6-[(3R)-3-fluoropyrrolidin-1-yl]-2-(3-methylquinoxalin-2-yl)imidazo[1,2-b]pyridazine-8-carboxylic acid

C20H17FN6O2 — CID 71278182

IUPAC6-[(3R)-3-fluoropyrrolidin-1-yl]-2-(3-methylquinoxalin-2-yl)imidazo[1,2-b]pyridazine-8-carboxylic acid
SMILESCc1nc2ccccc2nc1-c1cn2nc(N3CC[C@@H](F)C3)cc(C(=O)O)c2n1
InChIInChI=1S/C20H17FN6O2/c1-11-18(23-15-5-3-2-4-14(15)22-11)16-10-27-19(24-16)13(20(28)29)8-17(25-27)26-7-6-12(21)9-26/h2-5,8,10,12H,6-7,9H2,1H3,(H,28,29)/t12-/m1/s1
InChIKeyZOUZARDITFBOQE-GFCCVEGCSA-N
MW392.39 g/mol
LogP2.89
Rot. Bonds3

About 6-[(3R)-3-fluoropyrrolidin-1-yl]-2-(3-methylquinoxalin-2-yl)imidazo[1,2-b]pyridazine-8-carboxylic acid

6-[(3R)-3-fluoropyrrolidin-1-yl]-2-(3-methylquinoxalin-2-yl)imidazo[1,2-b]pyridazine-8-carboxylic acid (PubChem CID 71278182) has the molecular formula C20H17FN6O2 and a molecular weight of 392.39 g/mol. Its IUPAC name is 6-[(3R)-3-fluoropyrrolidin-1-yl]-2-(3-methylquinoxalin-2-yl)imidazo[1,2-b]pyridazine-8-carboxylic acid.

Molecular Properties

Compound Name6-[(3R)-3-fluoropyrrolidin-1-yl]-2-(3-methylquinoxalin-2-yl)imidazo[1,2-b]pyridazine-8-carboxylic acid
PubChem CID71278182
Molecular FormulaC20H17FN6O2
Molecular Weight392.39 g/mol
Exact Mass392.14
IUPAC Name6-[(3R)-3-fluoropyrrolidin-1-yl]-2-(3-methylquinoxalin-2-yl)imidazo[1,2-b]pyridazine-8-carboxylic acid
SMILESCc1nc2ccccc2nc1-c1cn2nc(N3CC[C@@H](F)C3)cc(C(=O)O)c2n1
InChIInChI=1S/C20H17FN6O2/c1-11-18(23-15-5-3-2-4-14(15)22-11)16-10-27-19(24-16)13(20(28)29)8-17(25-27)26-7-6-12(21)9-26/h2-5,8,10,12H,6-7,9H2,1H3,(H,28,29)/t12-/m1/s1
InChIKeyZOUZARDITFBOQE-GFCCVEGCSA-N
XLogP2.89
TPSA96.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.39
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[(3R)-3-fluoropyrrolidin-1-yl]-2-(3-methylquinoxalin-2-yl)imidazo[1,2-b]pyridazine-8-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

Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-3-fluoropyrrolidin-1-yl]-2-(3-methylquinoxalin-2-yl)imidazo[1,2-b]pyridazine-8-carboxylic acid?
The IUPAC name of 6-[(3R)-3-fluoropyrrolidin-1-yl]-2-(3-methylquinoxalin-2-yl)imidazo[1,2-b]pyridazine-8-carboxylic acid (CID 71278182) is 6-[(3R)-3-fluoropyrrolidin-1-yl]-2-(3-methylquinoxalin-2-yl)imidazo[1,2-b]pyridazine-8-carboxylic acid.
What is the SMILES notation for 6-[(3R)-3-fluoropyrrolidin-1-yl]-2-(3-methylquinoxalin-2-yl)imidazo[1,2-b]pyridazine-8-carboxylic acid?
The canonical SMILES for 6-[(3R)-3-fluoropyrrolidin-1-yl]-2-(3-methylquinoxalin-2-yl)imidazo[1,2-b]pyridazine-8-carboxylic acid is Cc1nc2ccccc2nc1-c1cn2nc(N3CC[C@@H](F)C3)cc(C(=O)O)c2n1.
What is the InChIKey of 6-[(3R)-3-fluoropyrrolidin-1-yl]-2-(3-methylquinoxalin-2-yl)imidazo[1,2-b]pyridazine-8-carboxylic acid?
The InChIKey is ZOUZARDITFBOQE-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H17FN6O2/c1-11-18(23-15-5-3-2-4-14(15)22-11)16-10-27-19(24-16)13(20(28)29)8-17(25-27)26-7-6-12(21)9-26/h2-5,8,10,12H,6-7,9H2,1H3,(H,28,29)/t12-/m1/s1.
What are the key properties of 6-[(3R)-3-fluoropyrrolidin-1-yl]-2-(3-methylquinoxalin-2-yl)imidazo[1,2-b]pyridazine-8-carboxylic acid?
6-[(3R)-3-fluoropyrrolidin-1-yl]-2-(3-methylquinoxalin-2-yl)imidazo[1,2-b]pyridazine-8-carboxylic acid has a molecular weight of 392.39 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R)-3-fluoropyrrolidin-1-yl]-2-(3-methylquinoxalin-2-yl)imidazo[1,2-b]pyridazine-8-carboxylic acid is sourced from PubChem (CID 71278182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).