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

C19H15FN4O — CID 134805372

IUPAC[3-[3-(3-fluoroanilino)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol
SMILESOCc1cccc(-c2ccc3ncc(Nc4cccc(F)c4)n3n2)c1
InChIInChI=1S/C19H15FN4O/c20-15-5-2-6-16(10-15)22-19-11-21-18-8-7-17(23-24(18)19)14-4-1-3-13(9-14)12-25/h1-11,22,25H,12H2
InChIKeyPKRFYBCYERCFSC-UHFFFAOYSA-N
MW334.35 g/mol
LogP3.77
Rot. Bonds4

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

[3-[3-(3-fluoroanilino)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol (PubChem CID 134805372) has the molecular formula C19H15FN4O and a molecular weight of 334.35 g/mol. Its IUPAC name is [3-[3-(3-fluoroanilino)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol.

Molecular Properties

Compound Name[3-[3-(3-fluoroanilino)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol
PubChem CID134805372
Molecular FormulaC19H15FN4O
Molecular Weight334.35 g/mol
Exact Mass334.12
IUPAC Name[3-[3-(3-fluoroanilino)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol
SMILESOCc1cccc(-c2ccc3ncc(Nc4cccc(F)c4)n3n2)c1
InChIInChI=1S/C19H15FN4O/c20-15-5-2-6-16(10-15)22-19-11-21-18-8-7-17(23-24(18)19)14-4-1-3-13(9-14)12-25/h1-11,22,25H,12H2
InChIKeyPKRFYBCYERCFSC-UHFFFAOYSA-N
XLogP3.77
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-((1r,4r)-4-((3-(3-(Trifluoromethyl)phenyl)imidazo[1,2-b]pyridazin-6-yl)amino)cyclohexyl)propan-2-ol
CID 66598080
(2S)-2-((3-(3-aminophenyl)imidazo(1,2-b)pyridazin-6-yl)amino)-3-methylbutan-1-ol
CID 46937115
2-(4-{4-[7-(3-Hydroxymethyl-phenyl)-pyrrolo[2,1-f][1,2,4]triazin-2-ylamino]-phenyl}-piperidin-1-yl)-acetamide
CID 57401364
[4-[[5-(3-Propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-pyridinyl]methanol
CID 59186268
7-[2-(1-Imidazolyl)-5-methylimidazo[1,5-b]pyridazin-7-yl]-1-phenyl-1-heptanone
CID 455594
2-[4-[[4-([1,2,4]Triazolo[4,3-a]pyridin-3-yl)pyrimidin-2-yl]amino]phenyl]ethanol
CID 44533020
(3-(2-phenyl-5-(pyridin-4-yl)-1H-imidazol-4-yl)phenyl)methanol
CID 44406595
3-[6-[(4-Fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenol
CID 44530402
4-[(3-Naphthalen-2-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexan-1-ol
CID 44530414
(3-(8-(6-(2-Methylpyrrolidin-1-yl)pyridin-2-ylamino)imidazo[1,2-b]pyridazin-6-yl)phenyl)methanol
CID 71451823
N-(2-dimethylamino-ethyl)-3-[6-[3-(hydroxymethyl) phenyl]imidazo [1,2-b]pyridazin-3-yl]benzamide
CID 117769500
[4-(6-Phenylimidazo [1,2-b]pyridazin-3-yl)phenyl] methanol
CID 126672911

Frequently Asked Questions

What is the IUPAC name of [3-[3-(3-fluoroanilino)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol?
The IUPAC name of [3-[3-(3-fluoroanilino)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol (CID 134805372) is [3-[3-(3-fluoroanilino)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol.
What is the SMILES notation for [3-[3-(3-fluoroanilino)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol?
The canonical SMILES for [3-[3-(3-fluoroanilino)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol is OCc1cccc(-c2ccc3ncc(Nc4cccc(F)c4)n3n2)c1.
What is the InChIKey of [3-[3-(3-fluoroanilino)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol?
The InChIKey is PKRFYBCYERCFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O/c20-15-5-2-6-16(10-15)22-19-11-21-18-8-7-17(23-24(18)19)14-4-1-3-13(9-14)12-25/h1-11,22,25H,12H2.
What are the key properties of [3-[3-(3-fluoroanilino)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol?
[3-[3-(3-fluoroanilino)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol has a molecular weight of 334.35 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(3-fluoroanilino)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol is sourced from PubChem (CID 134805372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).