6-chloro-8-(3,3-difluoro-4-methylpyrrolidin-1-yl)-3-fluoroimidazo[1,2-b]pyridazine

C11H10ClF3N4 — CID 157032389

IUPAC6-chloro-8-(3,3-difluoro-4-methylpyrrolidin-1-yl)-3-fluoroimidazo[1,2-b]pyridazine
SMILESCC1CN(c2cc(Cl)nn3c(F)cnc23)CC1(F)F
InChIInChI=1S/C11H10ClF3N4/c1-6-4-18(5-11(6,14)15)7-2-8(12)17-19-9(13)3-16-10(7)19/h2-3,6H,4-5H2,1H3
InChIKeyODQGPWRUNUWAGN-UHFFFAOYSA-N
MW290.68 g/mol
LogP2.61
Rot. Bonds1

About 6-chloro-8-(3,3-difluoro-4-methylpyrrolidin-1-yl)-3-fluoroimidazo[1,2-b]pyridazine

6-chloro-8-(3,3-difluoro-4-methylpyrrolidin-1-yl)-3-fluoroimidazo[1,2-b]pyridazine (PubChem CID 157032389) has the molecular formula C11H10ClF3N4 and a molecular weight of 290.68 g/mol. Its IUPAC name is 6-chloro-8-(3,3-difluoro-4-methylpyrrolidin-1-yl)-3-fluoroimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-chloro-8-(3,3-difluoro-4-methylpyrrolidin-1-yl)-3-fluoroimidazo[1,2-b]pyridazine
PubChem CID157032389
Molecular FormulaC11H10ClF3N4
Molecular Weight290.68 g/mol
Exact Mass290.05
IUPAC Name6-chloro-8-(3,3-difluoro-4-methylpyrrolidin-1-yl)-3-fluoroimidazo[1,2-b]pyridazine
SMILESCC1CN(c2cc(Cl)nn3c(F)cnc23)CC1(F)F
InChIInChI=1S/C11H10ClF3N4/c1-6-4-18(5-11(6,14)15)7-2-8(12)17-19-9(13)3-16-10(7)19/h2-3,6H,4-5H2,1H3
InChIKeyODQGPWRUNUWAGN-UHFFFAOYSA-N
XLogP2.61
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.68
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-(3,3-difluoro-4-methylpyrrolidin-1-yl)-3-fluoroimidazo[1,2-b]pyridazine?
The IUPAC name of 6-chloro-8-(3,3-difluoro-4-methylpyrrolidin-1-yl)-3-fluoroimidazo[1,2-b]pyridazine (CID 157032389) is 6-chloro-8-(3,3-difluoro-4-methylpyrrolidin-1-yl)-3-fluoroimidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-chloro-8-(3,3-difluoro-4-methylpyrrolidin-1-yl)-3-fluoroimidazo[1,2-b]pyridazine?
The canonical SMILES for 6-chloro-8-(3,3-difluoro-4-methylpyrrolidin-1-yl)-3-fluoroimidazo[1,2-b]pyridazine is CC1CN(c2cc(Cl)nn3c(F)cnc23)CC1(F)F.
What is the InChIKey of 6-chloro-8-(3,3-difluoro-4-methylpyrrolidin-1-yl)-3-fluoroimidazo[1,2-b]pyridazine?
The InChIKey is ODQGPWRUNUWAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF3N4/c1-6-4-18(5-11(6,14)15)7-2-8(12)17-19-9(13)3-16-10(7)19/h2-3,6H,4-5H2,1H3.
What are the key properties of 6-chloro-8-(3,3-difluoro-4-methylpyrrolidin-1-yl)-3-fluoroimidazo[1,2-b]pyridazine?
6-chloro-8-(3,3-difluoro-4-methylpyrrolidin-1-yl)-3-fluoroimidazo[1,2-b]pyridazine has a molecular weight of 290.68 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-8-(3,3-difluoro-4-methylpyrrolidin-1-yl)-3-fluoroimidazo[1,2-b]pyridazine is sourced from PubChem (CID 157032389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).