[4-[6-(furan-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol

C18H16N4O2 — CID 25104644

IUPAC[4-[6-(furan-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol
SMILESOCc1ccc(-c2cnc3ccc(NCc4ccco4)nn23)cc1
InChIInChI=1S/C18H16N4O2/c23-12-13-3-5-14(6-4-13)16-11-20-18-8-7-17(21-22(16)18)19-10-15-2-1-9-24-15/h1-9,11,23H,10,12H2,(H,19,21)
InChIKeyKEZSAXBIZKJRJK-UHFFFAOYSA-N
MW320.35 g/mol
LogP3.09
Rot. Bonds5

About [4-[6-(furan-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol

[4-[6-(furan-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol (PubChem CID 25104644) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is [4-[6-(furan-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol.

Molecular Properties

Compound Name[4-[6-(furan-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol
PubChem CID25104644
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Name[4-[6-(furan-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol
SMILESOCc1ccc(-c2cnc3ccc(NCc4ccco4)nn23)cc1
InChIInChI=1S/C18H16N4O2/c23-12-13-3-5-14(6-4-13)16-11-20-18-8-7-17(21-22(16)18)19-10-15-2-1-9-24-15/h1-9,11,23H,10,12H2,(H,19,21)
InChIKeyKEZSAXBIZKJRJK-UHFFFAOYSA-N
XLogP3.09
TPSA75.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-hydroxyphenethyl)-8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazine-6-carboxamide
CID 11646269
4-(Furan-2-yl)-10-[2-(4-pyrazin-2-ylphenyl)ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine
CID 21363905
3-(8-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-N,N-diethyl-benzamide
CID 44403132
N-(2-Furylmethyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 220776
2-[4-[2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]ethyl]-N-(2-hydroxyethyl)anilino]ethanol
CID 10026670
4-(Furan-2-yl)-10-[2-[4-(6-methyl-3-pyridinyl)phenyl]ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine
CID 44568316
4-[2-[7-amino-4-(furan-2-yl)-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]ethyl]-N-(2-aminophenyl)benzamide
CID 166633598
7-(difluoromethyl)-N-(2-furylmethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1259765
7-(furan-2-ylmethyl)-N-(3-imidazol-1-ylpropyl)-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 2930286
2-Furan-2-yl-7-pyridin-3-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine
CID 10125392
2-(Furan-2-yl)-7-(3-piperazin-1-ylphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 10126162
2-Furan-2-yl-7-pyridin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine
CID 10192937

Frequently Asked Questions

What is the IUPAC name of [4-[6-(furan-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol?
The IUPAC name of [4-[6-(furan-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol (CID 25104644) is [4-[6-(furan-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol.
What is the SMILES notation for [4-[6-(furan-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol?
The canonical SMILES for [4-[6-(furan-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol is OCc1ccc(-c2cnc3ccc(NCc4ccco4)nn23)cc1.
What is the InChIKey of [4-[6-(furan-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol?
The InChIKey is KEZSAXBIZKJRJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c23-12-13-3-5-14(6-4-13)16-11-20-18-8-7-17(21-22(16)18)19-10-15-2-1-9-24-15/h1-9,11,23H,10,12H2,(H,19,21).
What are the key properties of [4-[6-(furan-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol?
[4-[6-(furan-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol has a molecular weight of 320.35 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(furan-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol is sourced from PubChem (CID 25104644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).