7-fluoro-6-[1-[6-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]ethyl]quinoline

C27H27FN6O2 — CID 68639506

IUPAC7-fluoro-6-[1-[6-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]ethyl]quinoline
SMILESCC(c1cc2cccnc2cc1F)c1cnc2ccc(-c3cnn(CCOC4CCCCO4)c3)nn12
InChIInChI=1S/C27H27FN6O2/c1-18(21-13-19-5-4-9-29-24(19)14-22(21)28)25-16-30-26-8-7-23(32-34(25)26)20-15-31-33(17-20)10-12-36-27-6-2-3-11-35-27/h4-5,7-9,13-18,27H,2-3,6,10-12H2,1H3
InChIKeyLHIIGDZLCTVFSV-UHFFFAOYSA-N
MW486.55 g/mol
LogP4.98
Rot. Bonds7

About 7-fluoro-6-[1-[6-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]ethyl]quinoline

7-fluoro-6-[1-[6-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]ethyl]quinoline (PubChem CID 68639506) has the molecular formula C27H27FN6O2 and a molecular weight of 486.55 g/mol. Its IUPAC name is 7-fluoro-6-[1-[6-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]ethyl]quinoline.

Molecular Properties

Compound Name7-fluoro-6-[1-[6-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]ethyl]quinoline
PubChem CID68639506
Molecular FormulaC27H27FN6O2
Molecular Weight486.55 g/mol
Exact Mass486.22
IUPAC Name7-fluoro-6-[1-[6-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]ethyl]quinoline
SMILESCC(c1cc2cccnc2cc1F)c1cnc2ccc(-c3cnn(CCOC4CCCCO4)c3)nn12
InChIInChI=1S/C27H27FN6O2/c1-18(21-13-19-5-4-9-29-24(19)14-22(21)28)25-16-30-26-8-7-23(32-34(25)26)20-15-31-33(17-20)10-12-36-27-6-2-3-11-35-27/h4-5,7-9,13-18,27H,2-3,6,10-12H2,1H3
InChIKeyLHIIGDZLCTVFSV-UHFFFAOYSA-N
XLogP4.98
TPSA79.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.55
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-[1-[6-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]ethyl]quinoline?
The IUPAC name of 7-fluoro-6-[1-[6-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]ethyl]quinoline (CID 68639506) is 7-fluoro-6-[1-[6-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]ethyl]quinoline.
What is the SMILES notation for 7-fluoro-6-[1-[6-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]ethyl]quinoline?
The canonical SMILES for 7-fluoro-6-[1-[6-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]ethyl]quinoline is CC(c1cc2cccnc2cc1F)c1cnc2ccc(-c3cnn(CCOC4CCCCO4)c3)nn12.
What is the InChIKey of 7-fluoro-6-[1-[6-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]ethyl]quinoline?
The InChIKey is LHIIGDZLCTVFSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN6O2/c1-18(21-13-19-5-4-9-29-24(19)14-22(21)28)25-16-30-26-8-7-23(32-34(25)26)20-15-31-33(17-20)10-12-36-27-6-2-3-11-35-27/h4-5,7-9,13-18,27H,2-3,6,10-12H2,1H3.
What are the key properties of 7-fluoro-6-[1-[6-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]ethyl]quinoline?
7-fluoro-6-[1-[6-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]ethyl]quinoline has a molecular weight of 486.55 g/mol, XLogP of 4.98, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-6-[1-[6-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]ethyl]quinoline is sourced from PubChem (CID 68639506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).