4-fluoro-3-formyl-N-methyl-5-[7-(1-methylpyrazol-4-yl)-6-(oxolan-3-yloxy)imidazo[1,2-b]pyridazin-3-yl]benzamide

C23H21FN6O4 — CID 166643712

IUPAC4-fluoro-3-formyl-N-methyl-5-[7-(1-methylpyrazol-4-yl)-6-(oxolan-3-yloxy)imidazo[1,2-b]pyridazin-3-yl]benzamide
SMILESCNC(=O)c1cc(C=O)c(F)c(-c2cnc3cc(-c4cnn(C)c4)c(OC4CCOC4)nn23)c1
InChIInChI=1S/C23H21FN6O4/c1-25-22(32)13-5-14(11-31)21(24)18(6-13)19-9-26-20-7-17(15-8-27-29(2)10-15)23(28-30(19)20)34-16-3-4-33-12-16/h5-11,16H,3-4,12H2,1-2H3,(H,25,32)
InChIKeyBAILYEUUGSVPAJ-UHFFFAOYSA-N
MW464.46 g/mol
LogP2.28
Rot. Bonds6

About 4-fluoro-3-formyl-N-methyl-5-[7-(1-methylpyrazol-4-yl)-6-(oxolan-3-yloxy)imidazo[1,2-b]pyridazin-3-yl]benzamide

4-fluoro-3-formyl-N-methyl-5-[7-(1-methylpyrazol-4-yl)-6-(oxolan-3-yloxy)imidazo[1,2-b]pyridazin-3-yl]benzamide (PubChem CID 166643712) has the molecular formula C23H21FN6O4 and a molecular weight of 464.46 g/mol. Its IUPAC name is 4-fluoro-3-formyl-N-methyl-5-[7-(1-methylpyrazol-4-yl)-6-(oxolan-3-yloxy)imidazo[1,2-b]pyridazin-3-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-3-formyl-N-methyl-5-[7-(1-methylpyrazol-4-yl)-6-(oxolan-3-yloxy)imidazo[1,2-b]pyridazin-3-yl]benzamide
PubChem CID166643712
Molecular FormulaC23H21FN6O4
Molecular Weight464.46 g/mol
Exact Mass464.16
IUPAC Name4-fluoro-3-formyl-N-methyl-5-[7-(1-methylpyrazol-4-yl)-6-(oxolan-3-yloxy)imidazo[1,2-b]pyridazin-3-yl]benzamide
SMILESCNC(=O)c1cc(C=O)c(F)c(-c2cnc3cc(-c4cnn(C)c4)c(OC4CCOC4)nn23)c1
InChIInChI=1S/C23H21FN6O4/c1-25-22(32)13-5-14(11-31)21(24)18(6-13)19-9-26-20-7-17(15-8-27-29(2)10-15)23(28-30(19)20)34-16-3-4-33-12-16/h5-11,16H,3-4,12H2,1-2H3,(H,25,32)
InChIKeyBAILYEUUGSVPAJ-UHFFFAOYSA-N
XLogP2.28
TPSA112.64 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.46
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-methyl-3-[7-(1-methylpyrazol-4-yl)-6-[(3S)-oxolan-3-yl]oxyimidazo[1,2-b]pyridazin-3-yl]benzamide
CID 162265809
3,4-difluoro-N-methyl-5-[6-(oxolan-3-yloxy)-7-pyridin-4-ylimidazo[1,2-b]pyridazin-3-yl]benzamide
CID 166643762
3,4-difluoro-N-methyl-5-[7-(6-methyl-3-pyridinyl)-6-[(3S)-oxolan-3-yl]oxyimidazo[1,2-b]pyridazin-3-yl]benzamide
CID 159860896
3-bromo-7-(1-methylpyrazol-4-yl)-6-(oxolan-3-yloxy)imidazo[1,2-b]pyridazine
CID 166643766
3-bromo-6-[(3S)-oxolan-3-yl]oxy-7-(1-propan-2-ylpyrazol-4-yl)imidazo[1,2-b]pyridazine
CID 158705344
N-methyl-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 75504581
4-amino-N-methyl-3-(oxolan-3-yloxy)benzamide
CID 55218798
(3S)-3-[3-bromo-7-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-yl]oxypyrrolidin-2-one
CID 157157693
N-[3-[6-methoxy-7-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]phenyl]sulfanylmethanamine
CID 166659189
N-methyl-4-nitro-3-(oxolan-3-yloxy)benzamide
CID 59360027
N-[(3S)-5-(5-fluoro-6-methoxy-3-pyridinyl)-3,4-dihydro-2H-chromen-3-yl]-2-(oxolan-3-yloxy)pyrimidine-5-carboxamide
CID 66813411
3-methoxy-N-methyl-4-[[5-(1-methylpyrrol-3-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide
CID 121353375

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-formyl-N-methyl-5-[7-(1-methylpyrazol-4-yl)-6-(oxolan-3-yloxy)imidazo[1,2-b]pyridazin-3-yl]benzamide?
The IUPAC name of 4-fluoro-3-formyl-N-methyl-5-[7-(1-methylpyrazol-4-yl)-6-(oxolan-3-yloxy)imidazo[1,2-b]pyridazin-3-yl]benzamide (CID 166643712) is 4-fluoro-3-formyl-N-methyl-5-[7-(1-methylpyrazol-4-yl)-6-(oxolan-3-yloxy)imidazo[1,2-b]pyridazin-3-yl]benzamide.
What is the SMILES notation for 4-fluoro-3-formyl-N-methyl-5-[7-(1-methylpyrazol-4-yl)-6-(oxolan-3-yloxy)imidazo[1,2-b]pyridazin-3-yl]benzamide?
The canonical SMILES for 4-fluoro-3-formyl-N-methyl-5-[7-(1-methylpyrazol-4-yl)-6-(oxolan-3-yloxy)imidazo[1,2-b]pyridazin-3-yl]benzamide is CNC(=O)c1cc(C=O)c(F)c(-c2cnc3cc(-c4cnn(C)c4)c(OC4CCOC4)nn23)c1.
What is the InChIKey of 4-fluoro-3-formyl-N-methyl-5-[7-(1-methylpyrazol-4-yl)-6-(oxolan-3-yloxy)imidazo[1,2-b]pyridazin-3-yl]benzamide?
The InChIKey is BAILYEUUGSVPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN6O4/c1-25-22(32)13-5-14(11-31)21(24)18(6-13)19-9-26-20-7-17(15-8-27-29(2)10-15)23(28-30(19)20)34-16-3-4-33-12-16/h5-11,16H,3-4,12H2,1-2H3,(H,25,32).
What are the key properties of 4-fluoro-3-formyl-N-methyl-5-[7-(1-methylpyrazol-4-yl)-6-(oxolan-3-yloxy)imidazo[1,2-b]pyridazin-3-yl]benzamide?
4-fluoro-3-formyl-N-methyl-5-[7-(1-methylpyrazol-4-yl)-6-(oxolan-3-yloxy)imidazo[1,2-b]pyridazin-3-yl]benzamide has a molecular weight of 464.46 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-formyl-N-methyl-5-[7-(1-methylpyrazol-4-yl)-6-(oxolan-3-yloxy)imidazo[1,2-b]pyridazin-3-yl]benzamide is sourced from PubChem (CID 166643712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).