6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyridine-2-carboxylic acid

C22H18FN5O2 — CID 58335516

IUPAC6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(-c2cnc3ccc(N4CCCC4c4cccc(F)c4)nn23)n1
InChIInChI=1S/C22H18FN5O2/c23-15-5-1-4-14(12-15)18-8-3-11-27(18)21-10-9-20-24-13-19(28(20)26-21)16-6-2-7-17(25-16)22(29)30/h1-2,4-7,9-10,12-13,18H,3,8,11H2,(H,29,30)
InChIKeyCPVNOAVGATUHFO-UHFFFAOYSA-N
MW403.42 g/mol
LogP3.97
Rot. Bonds4

About 6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyridine-2-carboxylic acid

6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyridine-2-carboxylic acid (PubChem CID 58335516) has the molecular formula C22H18FN5O2 and a molecular weight of 403.42 g/mol. Its IUPAC name is 6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyridine-2-carboxylic acid
PubChem CID58335516
Molecular FormulaC22H18FN5O2
Molecular Weight403.42 g/mol
Exact Mass403.14
IUPAC Name6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(-c2cnc3ccc(N4CCCC4c4cccc(F)c4)nn23)n1
InChIInChI=1S/C22H18FN5O2/c23-15-5-1-4-14(12-15)18-8-3-11-27(18)21-10-9-20-24-13-19(28(20)26-21)16-6-2-7-17(25-16)22(29)30/h1-2,4-7,9-10,12-13,18H,3,8,11H2,(H,29,30)
InChIKeyCPVNOAVGATUHFO-UHFFFAOYSA-N
XLogP3.97
TPSA83.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.42
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]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

Frequently Asked Questions

What is the IUPAC name of 6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyridine-2-carboxylic acid (CID 58335516) is 6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyridine-2-carboxylic acid is O=C(O)c1cccc(-c2cnc3ccc(N4CCCC4c4cccc(F)c4)nn23)n1.
What is the InChIKey of 6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyridine-2-carboxylic acid?
The InChIKey is CPVNOAVGATUHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN5O2/c23-15-5-1-4-14(12-15)18-8-3-11-27(18)21-10-9-20-24-13-19(28(20)26-21)16-6-2-7-17(25-16)22(29)30/h1-2,4-7,9-10,12-13,18H,3,8,11H2,(H,29,30).
What are the key properties of 6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyridine-2-carboxylic acid?
6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyridine-2-carboxylic acid has a molecular weight of 403.42 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 58335516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).