fluorobenzene;4-hydroxy-N-[(3S)-1-imidazo[1,2-b]pyridazin-6-ylpyrrolidin-3-yl]benzamide

C23H22FN5O2 — CID 144738246

IUPACfluorobenzene;4-hydroxy-N-[(3S)-1-imidazo[1,2-b]pyridazin-6-ylpyrrolidin-3-yl]benzamide
SMILESFc1ccccc1.O=C(N[C@H]1CCN(c2ccc3nccn3n2)C1)c1ccc(O)cc1
InChIInChI=1S/C17H17N5O2.C6H5F/c23-14-3-1-12(2-4-14)17(24)19-13-7-9-21(11-13)16-6-5-15-18-8-10-22(15)20-16;7-6-4-2-1-3-5-6/h1-6,8,10,13,23H,7,9,11H2,(H,19,24);1-5H/t13-;/m0./s1
InChIKeyXITARTZJZMMNJA-ZOWNYOTGSA-N
MW419.46 g/mol
LogP3.27
Rot. Bonds3

About fluorobenzene;4-hydroxy-N-[(3S)-1-imidazo[1,2-b]pyridazin-6-ylpyrrolidin-3-yl]benzamide

fluorobenzene;4-hydroxy-N-[(3S)-1-imidazo[1,2-b]pyridazin-6-ylpyrrolidin-3-yl]benzamide (PubChem CID 144738246) has the molecular formula C23H22FN5O2 and a molecular weight of 419.46 g/mol. Its IUPAC name is fluorobenzene;4-hydroxy-N-[(3S)-1-imidazo[1,2-b]pyridazin-6-ylpyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Namefluorobenzene;4-hydroxy-N-[(3S)-1-imidazo[1,2-b]pyridazin-6-ylpyrrolidin-3-yl]benzamide
PubChem CID144738246
Molecular FormulaC23H22FN5O2
Molecular Weight419.46 g/mol
Exact Mass419.18
IUPAC Namefluorobenzene;4-hydroxy-N-[(3S)-1-imidazo[1,2-b]pyridazin-6-ylpyrrolidin-3-yl]benzamide
SMILESFc1ccccc1.O=C(N[C@H]1CCN(c2ccc3nccn3n2)C1)c1ccc(O)cc1
InChIInChI=1S/C17H17N5O2.C6H5F/c23-14-3-1-12(2-4-14)17(24)19-13-7-9-21(11-13)16-6-5-15-18-8-10-22(15)20-16;7-6-4-2-1-3-5-6/h1-6,8,10,13,23H,7,9,11H2,(H,19,24);1-5H/t13-;/m0./s1
InChIKeyXITARTZJZMMNJA-ZOWNYOTGSA-N
XLogP3.27
TPSA82.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-dichloro-2-hydroxy-N-[(3S)-1-imidazo[1,2-b]pyridazin-6-ylpyrrolidin-3-yl]benzamide
CID 144738035
4-fluoro-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]benzamide
CID 134801995
N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzamide
CID 99697085
5,6-dimethyl-2-oxo-1-phenylpyridine-3-carbaldehyde;fluorobenzene;(3S)-1-imidazo[1,2-b]pyridazin-6-yl-N-methylpyrrolidin-3-amine
CID 144738745
N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]pyridine-3-carboxamide
CID 119105633
ethane;fluorobenzene;N-[(3S)-1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-6-oxo-1H-pyridine-2-carboxamide
CID 144738685
4-phenyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide
CID 121142833
1-imidazo[1,2-b]pyridazin-6-ylpiperidin-4-ol
CID 131704101
4,5-dichloro-N-[(3S)-1-(3-cyclopropylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]pyridine-2-carboxamide;fluorobenzene
CID 144738488
1-imidazo[1,2-b]pyridazin-6-yl-N,N-dimethylpyrrolidine-3-carboxamide
CID 126857228
2-chloro-N-[(3R)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]benzamide
CID 129357131
N-[(3R)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]furan-3-carboxamide
CID 129356285

Frequently Asked Questions

What is the IUPAC name of fluorobenzene;4-hydroxy-N-[(3S)-1-imidazo[1,2-b]pyridazin-6-ylpyrrolidin-3-yl]benzamide?
The IUPAC name of fluorobenzene;4-hydroxy-N-[(3S)-1-imidazo[1,2-b]pyridazin-6-ylpyrrolidin-3-yl]benzamide (CID 144738246) is fluorobenzene;4-hydroxy-N-[(3S)-1-imidazo[1,2-b]pyridazin-6-ylpyrrolidin-3-yl]benzamide.
What is the SMILES notation for fluorobenzene;4-hydroxy-N-[(3S)-1-imidazo[1,2-b]pyridazin-6-ylpyrrolidin-3-yl]benzamide?
The canonical SMILES for fluorobenzene;4-hydroxy-N-[(3S)-1-imidazo[1,2-b]pyridazin-6-ylpyrrolidin-3-yl]benzamide is Fc1ccccc1.O=C(N[C@H]1CCN(c2ccc3nccn3n2)C1)c1ccc(O)cc1.
What is the InChIKey of fluorobenzene;4-hydroxy-N-[(3S)-1-imidazo[1,2-b]pyridazin-6-ylpyrrolidin-3-yl]benzamide?
The InChIKey is XITARTZJZMMNJA-ZOWNYOTGSA-N. The full InChI is InChI=1S/C17H17N5O2.C6H5F/c23-14-3-1-12(2-4-14)17(24)19-13-7-9-21(11-13)16-6-5-15-18-8-10-22(15)20-16;7-6-4-2-1-3-5-6/h1-6,8,10,13,23H,7,9,11H2,(H,19,24);1-5H/t13-;/m0./s1.
What are the key properties of fluorobenzene;4-hydroxy-N-[(3S)-1-imidazo[1,2-b]pyridazin-6-ylpyrrolidin-3-yl]benzamide?
fluorobenzene;4-hydroxy-N-[(3S)-1-imidazo[1,2-b]pyridazin-6-ylpyrrolidin-3-yl]benzamide has a molecular weight of 419.46 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for fluorobenzene;4-hydroxy-N-[(3S)-1-imidazo[1,2-b]pyridazin-6-ylpyrrolidin-3-yl]benzamide is sourced from PubChem (CID 144738246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).