2-fluoro-5-[6-[1-(3-fluorophenyl)ethylamino]imidazo[1,2-b]pyridazin-3-yl]phenol

C20H16F2N4O — CID 130348419

IUPAC2-fluoro-5-[6-[1-(3-fluorophenyl)ethylamino]imidazo[1,2-b]pyridazin-3-yl]phenol
SMILESCC(Nc1ccc2ncc(-c3ccc(F)c(O)c3)n2n1)c1cccc(F)c1
InChIInChI=1S/C20H16F2N4O/c1-12(13-3-2-4-15(21)9-13)24-19-7-8-20-23-11-17(26(20)25-19)14-5-6-16(22)18(27)10-14/h2-12,27H,1H3,(H,24,25)
InChIKeyUKGZVSQWPGZXLV-UHFFFAOYSA-N
MW366.37 g/mol
LogP4.55
Rot. Bonds4

About 2-fluoro-5-[6-[1-(3-fluorophenyl)ethylamino]imidazo[1,2-b]pyridazin-3-yl]phenol

2-fluoro-5-[6-[1-(3-fluorophenyl)ethylamino]imidazo[1,2-b]pyridazin-3-yl]phenol (PubChem CID 130348419) has the molecular formula C20H16F2N4O and a molecular weight of 366.37 g/mol. Its IUPAC name is 2-fluoro-5-[6-[1-(3-fluorophenyl)ethylamino]imidazo[1,2-b]pyridazin-3-yl]phenol.

Molecular Properties

Compound Name2-fluoro-5-[6-[1-(3-fluorophenyl)ethylamino]imidazo[1,2-b]pyridazin-3-yl]phenol
PubChem CID130348419
Molecular FormulaC20H16F2N4O
Molecular Weight366.37 g/mol
Exact Mass366.13
IUPAC Name2-fluoro-5-[6-[1-(3-fluorophenyl)ethylamino]imidazo[1,2-b]pyridazin-3-yl]phenol
SMILESCC(Nc1ccc2ncc(-c3ccc(F)c(O)c3)n2n1)c1cccc(F)c1
InChIInChI=1S/C20H16F2N4O/c1-12(13-3-2-4-15(21)9-13)24-19-7-8-20-23-11-17(26(20)25-19)14-5-6-16(22)18(27)10-14/h2-12,27H,1H3,(H,24,25)
InChIKeyUKGZVSQWPGZXLV-UHFFFAOYSA-N
XLogP4.55
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-[(2R)-2-aminopropoxy]phenyl]-N-[(1R)-1-(3-fluorophenyl)ethyl]imidazo[1,2-b]pyridazin-6-amine;methane
CID 161077798
tert-butyl-[1-[4-[6-[1-(3-fluorophenyl)ethylamino]imidazo[1,2-b]pyridazin-3-yl]phenoxy]propan-2-yl]carbamic acid
CID 175290683
N-[(1R)-1-(3-fluorophenyl)ethyl]-3-[4-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methoxy]phenyl]imidazo[1,2-b]pyridazin-6-amine
CID 118901865
N-[1-(3-fluorophenyl)ethyl]-5-(trifluoromethyl)pyridin-2-amine
CID 60631349
N-[1-(3-fluorophenyl)ethyl]-1,5-dimethylpyrazol-3-amine
CID 113287971
3-[4-(aminomethyl)-3-fluorophenyl]-N-butylimidazo[1,2-b]pyridazin-6-amine
CID 86696356
N-fluoro-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-amine
CID 134360127
N-[(1S)-1-(3-fluorophenyl)ethyl]-4-imidazo[1,2-b]pyridazin-3-yl-5-methylthiophene-2-carboxamide
CID 58046443
2-[(1R)-1-[[3-[1-(4-aminophenyl)triazol-4-yl]imidazo[1,2-b]pyridazin-6-yl]amino]ethyl]-4-fluorophenol
CID 171060746
5-fluoro-4-N-[1-(3-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 80801900
4-[6-(propylamino)imidazo[1,2-b]pyridazin-3-yl]phenol
CID 135923088
3-(4-fluorophenyl)-N-phenylimidazo[1,2-b]pyridazin-6-amine
CID 66890110

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[6-[1-(3-fluorophenyl)ethylamino]imidazo[1,2-b]pyridazin-3-yl]phenol?
The IUPAC name of 2-fluoro-5-[6-[1-(3-fluorophenyl)ethylamino]imidazo[1,2-b]pyridazin-3-yl]phenol (CID 130348419) is 2-fluoro-5-[6-[1-(3-fluorophenyl)ethylamino]imidazo[1,2-b]pyridazin-3-yl]phenol.
What is the SMILES notation for 2-fluoro-5-[6-[1-(3-fluorophenyl)ethylamino]imidazo[1,2-b]pyridazin-3-yl]phenol?
The canonical SMILES for 2-fluoro-5-[6-[1-(3-fluorophenyl)ethylamino]imidazo[1,2-b]pyridazin-3-yl]phenol is CC(Nc1ccc2ncc(-c3ccc(F)c(O)c3)n2n1)c1cccc(F)c1.
What is the InChIKey of 2-fluoro-5-[6-[1-(3-fluorophenyl)ethylamino]imidazo[1,2-b]pyridazin-3-yl]phenol?
The InChIKey is UKGZVSQWPGZXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N4O/c1-12(13-3-2-4-15(21)9-13)24-19-7-8-20-23-11-17(26(20)25-19)14-5-6-16(22)18(27)10-14/h2-12,27H,1H3,(H,24,25).
What are the key properties of 2-fluoro-5-[6-[1-(3-fluorophenyl)ethylamino]imidazo[1,2-b]pyridazin-3-yl]phenol?
2-fluoro-5-[6-[1-(3-fluorophenyl)ethylamino]imidazo[1,2-b]pyridazin-3-yl]phenol has a molecular weight of 366.37 g/mol, XLogP of 4.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[6-[1-(3-fluorophenyl)ethylamino]imidazo[1,2-b]pyridazin-3-yl]phenol is sourced from PubChem (CID 130348419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).