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6-chloro-8-[(1S,2S)-2-[4-(2,2-difluoroethoxy)phenyl]cyclopropyl]imidazo[1,2-b]pyridazine

C17H14ClF2N3O — CID 157033292

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC6-chloro-8-[(1S,2S)-2-[4-(2,2-difluoroethoxy)phenyl]cyclopropyl]imidazo[1,2-b]pyridazine
SMILESFC(F)COc1ccc([C@H]2C[C@@H]2c2cc(Cl)nn3ccnc23)cc1
InChIInChI=1S/C17H14ClF2N3O/c18-15-8-14(17-21-5-6-23(17)22-15)13-7-12(13)10-1-3-11(4-2-10)24-9-16(19)20/h1-6,8,12-13,16H,7,9H2/t12-,13+/m1/s1
InChIKeyJKROWPYVNXZCAE-OLZOCXBDSA-N
MW349.77 g/mol
LogP4.30
Rot. Bonds5

About 6-chloro-8-[(1S,2S)-2-[4-(2,2-difluoroethoxy)phenyl]cyclopropyl]imidazo[1,2-b]pyridazine

6-chloro-8-[(1S,2S)-2-[4-(2,2-difluoroethoxy)phenyl]cyclopropyl]imidazo[1,2-b]pyridazine (PubChem CID 157033292) has the molecular formula C17H14ClF2N3O and a molecular weight of 349.77 g/mol. Its IUPAC name is 6-chloro-8-[(1S,2S)-2-[4-(2,2-difluoroethoxy)phenyl]cyclopropyl]imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-chloro-8-[(1S,2S)-2-[4-(2,2-difluoroethoxy)phenyl]cyclopropyl]imidazo[1,2-b]pyridazine
PubChem CID157033292
Molecular FormulaC17H14ClF2N3O
Molecular Weight349.77 g/mol
Exact Mass349.08
IUPAC Name6-chloro-8-[(1S,2S)-2-[4-(2,2-difluoroethoxy)phenyl]cyclopropyl]imidazo[1,2-b]pyridazine
SMILESFC(F)COc1ccc([C@H]2C[C@@H]2c2cc(Cl)nn3ccnc23)cc1
InChIInChI=1S/C17H14ClF2N3O/c18-15-8-14(17-21-5-6-23(17)22-15)13-7-12(13)10-1-3-11(4-2-10)24-9-16(19)20/h1-6,8,12-13,16H,7,9H2/t12-,13+/m1/s1
InChIKeyJKROWPYVNXZCAE-OLZOCXBDSA-N
XLogP4.30
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.77
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-[(1S,2S)-2-[4-(2,2-difluoroethoxy)phenyl]cyclopropyl]imidazo[1,2-b]pyridazine?
The IUPAC name of 6-chloro-8-[(1S,2S)-2-[4-(2,2-difluoroethoxy)phenyl]cyclopropyl]imidazo[1,2-b]pyridazine (CID 157033292) is 6-chloro-8-[(1S,2S)-2-[4-(2,2-difluoroethoxy)phenyl]cyclopropyl]imidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-chloro-8-[(1S,2S)-2-[4-(2,2-difluoroethoxy)phenyl]cyclopropyl]imidazo[1,2-b]pyridazine?
The canonical SMILES for 6-chloro-8-[(1S,2S)-2-[4-(2,2-difluoroethoxy)phenyl]cyclopropyl]imidazo[1,2-b]pyridazine is FC(F)COc1ccc([C@H]2C[C@@H]2c2cc(Cl)nn3ccnc23)cc1.
What is the InChIKey of 6-chloro-8-[(1S,2S)-2-[4-(2,2-difluoroethoxy)phenyl]cyclopropyl]imidazo[1,2-b]pyridazine?
The InChIKey is JKROWPYVNXZCAE-OLZOCXBDSA-N. The full InChI is InChI=1S/C17H14ClF2N3O/c18-15-8-14(17-21-5-6-23(17)22-15)13-7-12(13)10-1-3-11(4-2-10)24-9-16(19)20/h1-6,8,12-13,16H,7,9H2/t12-,13+/m1/s1.
What are the key properties of 6-chloro-8-[(1S,2S)-2-[4-(2,2-difluoroethoxy)phenyl]cyclopropyl]imidazo[1,2-b]pyridazine?
6-chloro-8-[(1S,2S)-2-[4-(2,2-difluoroethoxy)phenyl]cyclopropyl]imidazo[1,2-b]pyridazine has a molecular weight of 349.77 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-8-[(1S,2S)-2-[4-(2,2-difluoroethoxy)phenyl]cyclopropyl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 157033292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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