4-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyridine-2-carboxylic acid

C22H18FN5O2 — CID 58335690

IUPAC4-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(-c2cnc3ccc(N4CCCC4c4cccc(F)c4)nn23)ccn1
InChIInChI=1S/C22H18FN5O2/c23-16-4-1-3-14(11-16)18-5-2-10-27(18)21-7-6-20-25-13-19(28(20)26-21)15-8-9-24-17(12-15)22(29)30/h1,3-4,6-9,11-13,18H,2,5,10H2,(H,29,30)
InChIKeyNISKKRRUTJVYQK-UHFFFAOYSA-N
MW403.42 g/mol
LogP3.97
Rot. Bonds4

About 4-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyridine-2-carboxylic acid

4-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyridine-2-carboxylic acid (PubChem CID 58335690) has the molecular formula C22H18FN5O2 and a molecular weight of 403.42 g/mol. Its IUPAC name is 4-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyridine-2-carboxylic acid
PubChem CID58335690
Molecular FormulaC22H18FN5O2
Molecular Weight403.42 g/mol
Exact Mass403.14
IUPAC Name4-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(-c2cnc3ccc(N4CCCC4c4cccc(F)c4)nn23)ccn1
InChIInChI=1S/C22H18FN5O2/c23-16-4-1-3-14(11-16)18-5-2-10-27(18)21-7-6-20-25-13-19(28(20)26-21)15-8-9-24-17(12-15)22(29)30/h1,3-4,6-9,11-13,18H,2,5,10H2,(H,29,30)
InChIKeyNISKKRRUTJVYQK-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

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyridine-2-carboxylic acid?
The IUPAC name of 4-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyridine-2-carboxylic acid (CID 58335690) is 4-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyridine-2-carboxylic acid is O=C(O)c1cc(-c2cnc3ccc(N4CCCC4c4cccc(F)c4)nn23)ccn1.
What is the InChIKey of 4-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyridine-2-carboxylic acid?
The InChIKey is NISKKRRUTJVYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN5O2/c23-16-4-1-3-14(11-16)18-5-2-10-27(18)21-7-6-20-25-13-19(28(20)26-21)15-8-9-24-17(12-15)22(29)30/h1,3-4,6-9,11-13,18H,2,5,10H2,(H,29,30).
What are the key properties of 4-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyridine-2-carboxylic acid?
4-[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 4-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 58335690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).