4-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-methoxy-1,3-thiazole

C20H18FN5OS — CID 44519365

IUPAC4-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-methoxy-1,3-thiazole
SMILESCOc1nc(-c2cnc3ccc(N4CCCC4c4cccc(F)c4)nn23)cs1
InChIInChI=1S/C20H18FN5OS/c1-27-20-23-15(12-28-20)17-11-22-18-7-8-19(24-26(17)18)25-9-3-6-16(25)13-4-2-5-14(21)10-13/h2,4-5,7-8,10-12,16H,3,6,9H2,1H3
InChIKeyUTABLNCJVHCFAI-UHFFFAOYSA-N
MW395.46 g/mol
LogP4.34
Rot. Bonds4

About 4-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-methoxy-1,3-thiazole

4-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-methoxy-1,3-thiazole (PubChem CID 44519365) has the molecular formula C20H18FN5OS and a molecular weight of 395.46 g/mol. Its IUPAC name is 4-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-methoxy-1,3-thiazole.

Molecular Properties

Compound Name4-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-methoxy-1,3-thiazole
PubChem CID44519365
Molecular FormulaC20H18FN5OS
Molecular Weight395.46 g/mol
Exact Mass395.12
IUPAC Name4-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-methoxy-1,3-thiazole
SMILESCOc1nc(-c2cnc3ccc(N4CCCC4c4cccc(F)c4)nn23)cs1
InChIInChI=1S/C20H18FN5OS/c1-27-20-23-15(12-28-20)17-11-22-18-7-8-19(24-26(17)18)25-9-3-6-16(25)13-4-2-5-14(21)10-13/h2,4-5,7-8,10-12,16H,3,6,9H2,1H3
InChIKeyUTABLNCJVHCFAI-UHFFFAOYSA-N
XLogP4.34
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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]-2-methoxy-1,3-thiazole?
The IUPAC name of 4-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-methoxy-1,3-thiazole (CID 44519365) is 4-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-methoxy-1,3-thiazole.
What is the SMILES notation for 4-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-methoxy-1,3-thiazole?
The canonical SMILES for 4-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-methoxy-1,3-thiazole is COc1nc(-c2cnc3ccc(N4CCCC4c4cccc(F)c4)nn23)cs1.
What is the InChIKey of 4-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-methoxy-1,3-thiazole?
The InChIKey is UTABLNCJVHCFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5OS/c1-27-20-23-15(12-28-20)17-11-22-18-7-8-19(24-26(17)18)25-9-3-6-16(25)13-4-2-5-14(21)10-13/h2,4-5,7-8,10-12,16H,3,6,9H2,1H3.
What are the key properties of 4-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-methoxy-1,3-thiazole?
4-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-methoxy-1,3-thiazole has a molecular weight of 395.46 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 7 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]-2-methoxy-1,3-thiazole is sourced from PubChem (CID 44519365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).