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

C27H21F2N5O2 — CID 137159567

IUPAC2,6-difluoro-4-[8-morpholin-4-yl-2-[(E)-2-quinolin-2-ylethenyl]imidazo[1,2-b]pyridazin-3-yl]phenol
SMILESOc1c(F)cc(-c2c(/C=C/c3ccc4ccccc4n3)nc3c(N4CCOCC4)ccnn23)cc1F
InChIInChI=1S/C27H21F2N5O2/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/h1-10,15-16,35H,11-14H2/b8-7+
InChIKeyNWPWBTDQTGUGNM-BQYQJAHWSA-N
MW485.49 g/mol
LogP4.94
Rot. Bonds4

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

2,6-difluoro-4-[8-morpholin-4-yl-2-[(E)-2-quinolin-2-ylethenyl]imidazo[1,2-b]pyridazin-3-yl]phenol (PubChem CID 137159567) has the molecular formula C27H21F2N5O2 and a molecular weight of 485.49 g/mol. Its IUPAC name is 2,6-difluoro-4-[8-morpholin-4-yl-2-[(E)-2-quinolin-2-ylethenyl]imidazo[1,2-b]pyridazin-3-yl]phenol.

Molecular Properties

Compound Name2,6-difluoro-4-[8-morpholin-4-yl-2-[(E)-2-quinolin-2-ylethenyl]imidazo[1,2-b]pyridazin-3-yl]phenol
PubChem CID137159567
Molecular FormulaC27H21F2N5O2
Molecular Weight485.49 g/mol
Exact Mass485.17
IUPAC Name2,6-difluoro-4-[8-morpholin-4-yl-2-[(E)-2-quinolin-2-ylethenyl]imidazo[1,2-b]pyridazin-3-yl]phenol
SMILESOc1c(F)cc(-c2c(/C=C/c3ccc4ccccc4n3)nc3c(N4CCOCC4)ccnn23)cc1F
InChIInChI=1S/C27H21F2N5O2/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/h1-10,15-16,35H,11-14H2/b8-7+
InChIKeyNWPWBTDQTGUGNM-BQYQJAHWSA-N
XLogP4.94
TPSA75.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.49
LogP ≤ 54.94
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-[(E)-2-quinolin-2-ylethenyl]imidazo[1,2-b]pyridazin-3-yl]phenol?
The IUPAC name of 2,6-difluoro-4-[8-morpholin-4-yl-2-[(E)-2-quinolin-2-ylethenyl]imidazo[1,2-b]pyridazin-3-yl]phenol (CID 137159567) is 2,6-difluoro-4-[8-morpholin-4-yl-2-[(E)-2-quinolin-2-ylethenyl]imidazo[1,2-b]pyridazin-3-yl]phenol.
What is the SMILES notation for 2,6-difluoro-4-[8-morpholin-4-yl-2-[(E)-2-quinolin-2-ylethenyl]imidazo[1,2-b]pyridazin-3-yl]phenol?
The canonical SMILES for 2,6-difluoro-4-[8-morpholin-4-yl-2-[(E)-2-quinolin-2-ylethenyl]imidazo[1,2-b]pyridazin-3-yl]phenol is Oc1c(F)cc(-c2c(/C=C/c3ccc4ccccc4n3)nc3c(N4CCOCC4)ccnn23)cc1F.
What is the InChIKey of 2,6-difluoro-4-[8-morpholin-4-yl-2-[(E)-2-quinolin-2-ylethenyl]imidazo[1,2-b]pyridazin-3-yl]phenol?
The InChIKey is NWPWBTDQTGUGNM-BQYQJAHWSA-N. The full InChI is InChI=1S/C27H21F2N5O2/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/h1-10,15-16,35H,11-14H2/b8-7+.
What are the key properties of 2,6-difluoro-4-[8-morpholin-4-yl-2-[(E)-2-quinolin-2-ylethenyl]imidazo[1,2-b]pyridazin-3-yl]phenol?
2,6-difluoro-4-[8-morpholin-4-yl-2-[(E)-2-quinolin-2-ylethenyl]imidazo[1,2-b]pyridazin-3-yl]phenol has a molecular weight of 485.49 g/mol, XLogP of 4.94, 4 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-[(E)-2-quinolin-2-ylethenyl]imidazo[1,2-b]pyridazin-3-yl]phenol is sourced from PubChem (CID 137159567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).