6-chloro-8-[3-(2,2-difluorocyclopropyl)azetidin-1-yl]imidazo[1,2-b]pyridazine

C12H11ClF2N4 — CID 157033945

IUPAC6-chloro-8-[3-(2,2-difluorocyclopropyl)azetidin-1-yl]imidazo[1,2-b]pyridazine
SMILESFC1(F)CC1C1CN(c2cc(Cl)nn3ccnc23)C1
InChIInChI=1S/C12H11ClF2N4/c13-10-3-9(11-16-1-2-19(11)17-10)18-5-7(6-18)8-4-12(8,14)15/h1-3,7-8H,4-6H2
InChIKeyHSYWOHNULKEVHU-UHFFFAOYSA-N
MW284.70 g/mol
LogP2.47
Rot. Bonds2

About 6-chloro-8-[3-(2,2-difluorocyclopropyl)azetidin-1-yl]imidazo[1,2-b]pyridazine

6-chloro-8-[3-(2,2-difluorocyclopropyl)azetidin-1-yl]imidazo[1,2-b]pyridazine (PubChem CID 157033945) has the molecular formula C12H11ClF2N4 and a molecular weight of 284.70 g/mol. Its IUPAC name is 6-chloro-8-[3-(2,2-difluorocyclopropyl)azetidin-1-yl]imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-chloro-8-[3-(2,2-difluorocyclopropyl)azetidin-1-yl]imidazo[1,2-b]pyridazine
PubChem CID157033945
Molecular FormulaC12H11ClF2N4
Molecular Weight284.70 g/mol
Exact Mass284.06
IUPAC Name6-chloro-8-[3-(2,2-difluorocyclopropyl)azetidin-1-yl]imidazo[1,2-b]pyridazine
SMILESFC1(F)CC1C1CN(c2cc(Cl)nn3ccnc23)C1
InChIInChI=1S/C12H11ClF2N4/c13-10-3-9(11-16-1-2-19(11)17-10)18-5-7(6-18)8-4-12(8,14)15/h1-3,7-8H,4-6H2
InChIKeyHSYWOHNULKEVHU-UHFFFAOYSA-N
XLogP2.47
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.70
LogP ≤ 52.47
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-(2,2-difluorocyclopropyl)azetidin-1-yl]imidazo[1,2-b]pyridazine?
The IUPAC name of 6-chloro-8-[3-(2,2-difluorocyclopropyl)azetidin-1-yl]imidazo[1,2-b]pyridazine (CID 157033945) is 6-chloro-8-[3-(2,2-difluorocyclopropyl)azetidin-1-yl]imidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-chloro-8-[3-(2,2-difluorocyclopropyl)azetidin-1-yl]imidazo[1,2-b]pyridazine?
The canonical SMILES for 6-chloro-8-[3-(2,2-difluorocyclopropyl)azetidin-1-yl]imidazo[1,2-b]pyridazine is FC1(F)CC1C1CN(c2cc(Cl)nn3ccnc23)C1.
What is the InChIKey of 6-chloro-8-[3-(2,2-difluorocyclopropyl)azetidin-1-yl]imidazo[1,2-b]pyridazine?
The InChIKey is HSYWOHNULKEVHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClF2N4/c13-10-3-9(11-16-1-2-19(11)17-10)18-5-7(6-18)8-4-12(8,14)15/h1-3,7-8H,4-6H2.
What are the key properties of 6-chloro-8-[3-(2,2-difluorocyclopropyl)azetidin-1-yl]imidazo[1,2-b]pyridazine?
6-chloro-8-[3-(2,2-difluorocyclopropyl)azetidin-1-yl]imidazo[1,2-b]pyridazine has a molecular weight of 284.70 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-8-[3-(2,2-difluorocyclopropyl)azetidin-1-yl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 157033945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).