2,6-difluoro-4-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-b]pyridazin-3-yl]phenol

C27H23F2N5O2 — CID 137159568

IUPAC2,6-difluoro-4-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-b]pyridazin-3-yl]phenol
SMILESOc1c(F)cc(-c2c(CCc3ccc4ccccc4n3)nc3c(N4CCOCC4)ccnn23)cc1F
InChIInChI=1S/C27H23F2N5O2/c28-20-15-18(16-21(29)26(20)35)25-23(8-7-19-6-5-17-3-1-2-4-22(17)31-19)32-27-24(9-10-30-34(25)27)33-11-13-36-14-12-33/h1-6,9-10,15-16,35H,7-8,11-14H2
InChIKeySYVJZFYIGZRGEF-UHFFFAOYSA-N
MW487.51 g/mol
LogP4.55
Rot. Bonds5

About 2,6-difluoro-4-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-b]pyridazin-3-yl]phenol

2,6-difluoro-4-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-b]pyridazin-3-yl]phenol (PubChem CID 137159568) has the molecular formula C27H23F2N5O2 and a molecular weight of 487.51 g/mol. Its IUPAC name is 2,6-difluoro-4-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-b]pyridazin-3-yl]phenol.

Molecular Properties

Compound Name2,6-difluoro-4-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-b]pyridazin-3-yl]phenol
PubChem CID137159568
Molecular FormulaC27H23F2N5O2
Molecular Weight487.51 g/mol
Exact Mass487.18
IUPAC Name2,6-difluoro-4-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-b]pyridazin-3-yl]phenol
SMILESOc1c(F)cc(-c2c(CCc3ccc4ccccc4n3)nc3c(N4CCOCC4)ccnn23)cc1F
InChIInChI=1S/C27H23F2N5O2/c28-20-15-18(16-21(29)26(20)35)25-23(8-7-19-6-5-17-3-1-2-4-22(17)31-19)32-27-24(9-10-30-34(25)27)33-11-13-36-14-12-33/h1-6,9-10,15-16,35H,7-8,11-14H2
InChIKeySYVJZFYIGZRGEF-UHFFFAOYSA-N
XLogP4.55
TPSA75.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.51
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-b]pyridazin-3-yl]phenol?
The IUPAC name of 2,6-difluoro-4-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-b]pyridazin-3-yl]phenol (CID 137159568) is 2,6-difluoro-4-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-b]pyridazin-3-yl]phenol.
What is the SMILES notation for 2,6-difluoro-4-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-b]pyridazin-3-yl]phenol?
The canonical SMILES for 2,6-difluoro-4-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-b]pyridazin-3-yl]phenol is Oc1c(F)cc(-c2c(CCc3ccc4ccccc4n3)nc3c(N4CCOCC4)ccnn23)cc1F.
What is the InChIKey of 2,6-difluoro-4-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-b]pyridazin-3-yl]phenol?
The InChIKey is SYVJZFYIGZRGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23F2N5O2/c28-20-15-18(16-21(29)26(20)35)25-23(8-7-19-6-5-17-3-1-2-4-22(17)31-19)32-27-24(9-10-30-34(25)27)33-11-13-36-14-12-33/h1-6,9-10,15-16,35H,7-8,11-14H2.
What are the key properties of 2,6-difluoro-4-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-b]pyridazin-3-yl]phenol?
2,6-difluoro-4-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-b]pyridazin-3-yl]phenol has a molecular weight of 487.51 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-b]pyridazin-3-yl]phenol is sourced from PubChem (CID 137159568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).