5-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-1,3-oxazole

C24H19FN6O — CID 58335668

IUPAC5-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-1,3-oxazole
SMILESFc1cccc(C2CCCN2c2ccc3ncc(-c4cccc(-c5cnco5)n4)n3n2)c1
InChIInChI=1S/C24H19FN6O/c25-17-5-1-4-16(12-17)20-8-3-11-30(20)24-10-9-23-27-13-21(31(23)29-24)18-6-2-7-19(28-18)22-14-26-15-32-22/h1-2,4-7,9-10,12-15,20H,3,8,11H2
InChIKeyDKGNOPXDAVJMGK-UHFFFAOYSA-N
MW426.46 g/mol
LogP4.93
Rot. Bonds4

About 5-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-1,3-oxazole

5-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-1,3-oxazole (PubChem CID 58335668) has the molecular formula C24H19FN6O and a molecular weight of 426.46 g/mol. Its IUPAC name is 5-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-1,3-oxazole.

Molecular Properties

Compound Name5-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-1,3-oxazole
PubChem CID58335668
Molecular FormulaC24H19FN6O
Molecular Weight426.46 g/mol
Exact Mass426.16
IUPAC Name5-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-1,3-oxazole
SMILESFc1cccc(C2CCCN2c2ccc3ncc(-c4cccc(-c5cnco5)n4)n3n2)c1
InChIInChI=1S/C24H19FN6O/c25-17-5-1-4-16(12-17)20-8-3-11-30(20)24-10-9-23-27-13-21(31(23)29-24)18-6-2-7-19(28-18)22-14-26-15-32-22/h1-2,4-7,9-10,12-15,20H,3,8,11H2
InChIKeyDKGNOPXDAVJMGK-UHFFFAOYSA-N
XLogP4.93
TPSA72.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.46
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-1,3-oxazole?
The IUPAC name of 5-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-1,3-oxazole (CID 58335668) is 5-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-1,3-oxazole.
What is the SMILES notation for 5-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-1,3-oxazole?
The canonical SMILES for 5-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-1,3-oxazole is Fc1cccc(C2CCCN2c2ccc3ncc(-c4cccc(-c5cnco5)n4)n3n2)c1.
What is the InChIKey of 5-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-1,3-oxazole?
The InChIKey is DKGNOPXDAVJMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN6O/c25-17-5-1-4-16(12-17)20-8-3-11-30(20)24-10-9-23-27-13-21(31(23)29-24)18-6-2-7-19(28-18)22-14-26-15-32-22/h1-2,4-7,9-10,12-15,20H,3,8,11H2.
What are the key properties of 5-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-1,3-oxazole?
5-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-1,3-oxazole has a molecular weight of 426.46 g/mol, XLogP of 4.93, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-1,3-oxazole is sourced from PubChem (CID 58335668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).