methyl 8-(3,6-dihydro-2H-pyran-4-yl)-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylate;methyl 6-(4-fluorophenyl)-8-(oxan-4-yl)imidazo[1,2-b]pyridazine-2-carboxylate

C38H34F2N6O6 — CID 157198105

IUPACmethyl 8-(3,6-dihydro-2H-pyran-4-yl)-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylate;methyl 6-(4-fluorophenyl)-8-(oxan-4-yl)imidazo[1,2-b]pyridazine-2-carboxylate
SMILESCOC(=O)c1cn2nc(-c3ccc(F)cc3)cc(C3=CCOCC3)c2n1.COC(=O)c1cn2nc(-c3ccc(F)cc3)cc(C3CCOCC3)c2n1
InChIInChI=1S/C19H18FN3O3.C19H16FN3O3/c2*1-25-19(24)17-11-23-18(21-17)15(12-6-8-26-9-7-12)10-16(22-23)13-2-4-14(20)5-3-13/h2-5,10-12H,6-9H2,1H3;2-6,10-11H,7-9H2,1H3
InChIKeyAQMCKSSDIJVQPE-UHFFFAOYSA-N
MW708.72 g/mol
LogP6.34
Rot. Bonds6

About methyl 8-(3,6-dihydro-2H-pyran-4-yl)-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylate;methyl 6-(4-fluorophenyl)-8-(oxan-4-yl)imidazo[1,2-b]pyridazine-2-carboxylate

methyl 8-(3,6-dihydro-2H-pyran-4-yl)-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylate;methyl 6-(4-fluorophenyl)-8-(oxan-4-yl)imidazo[1,2-b]pyridazine-2-carboxylate (PubChem CID 157198105) has the molecular formula C38H34F2N6O6 and a molecular weight of 708.72 g/mol. Its IUPAC name is methyl 8-(3,6-dihydro-2H-pyran-4-yl)-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylate;methyl 6-(4-fluorophenyl)-8-(oxan-4-yl)imidazo[1,2-b]pyridazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 8-(3,6-dihydro-2H-pyran-4-yl)-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylate;methyl 6-(4-fluorophenyl)-8-(oxan-4-yl)imidazo[1,2-b]pyridazine-2-carboxylate
PubChem CID157198105
Molecular FormulaC38H34F2N6O6
Molecular Weight708.72 g/mol
Exact Mass708.25
IUPAC Namemethyl 8-(3,6-dihydro-2H-pyran-4-yl)-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylate;methyl 6-(4-fluorophenyl)-8-(oxan-4-yl)imidazo[1,2-b]pyridazine-2-carboxylate
SMILESCOC(=O)c1cn2nc(-c3ccc(F)cc3)cc(C3=CCOCC3)c2n1.COC(=O)c1cn2nc(-c3ccc(F)cc3)cc(C3CCOCC3)c2n1
InChIInChI=1S/C19H18FN3O3.C19H16FN3O3/c2*1-25-19(24)17-11-23-18(21-17)15(12-6-8-26-9-7-12)10-16(22-23)13-2-4-14(20)5-3-13/h2-5,10-12H,6-9H2,1H3;2-6,10-11H,7-9H2,1H3
InChIKeyAQMCKSSDIJVQPE-UHFFFAOYSA-N
XLogP6.34
TPSA131.44 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500708.72
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze methyl 8-(3,6-dihydro-2H-pyran-4-yl)-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylate;methyl 6-(4-fluorophenyl)-8-(oxan-4-yl)imidazo[1,2-b]pyridazine-2-carboxylate with MolForge

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Related Compounds

4-[4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-(methoxymethyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-oxobutanamide
CID 155567301
US20240043427, Example 197
CID 170687620
PSJ-2510-up
CID 139095417
6-[2-(6-Fluoro-Pyridin-2-Yl)-Imidazol-1-Ylmethyl]-7-Propyl-Imidazo[1,2-B]Pyridazine-2-Carboxylic Acid Ethyl Ester
CID 11373183
methyl 6-[3-(4-fluorophenyl)-1-trityl-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate
CID 22031193
Ethyl 6-[3-(2,4-difluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate
CID 22031220
Ethyl 6-(1-(2-fluoropyridin-3-yl)-5-methyl-1H-1,2,3-triazol-4-yl)imidazo[1,2-a]pyridine-2-carboxylate
CID 23158266
ethyl 6-[(2R,4S)-2-(3-cyano-5-fluorophenyl)-4-fluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxylate
CID 56941598
ethyl 6-[(2R,4S)-2-(3,4-difluorophenyl)-4-fluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxylate
CID 56941737
ethyl 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxylate
CID 66684282
ethyl 6-[(3S)-2-(3-fluorophenyl)-3-hydroxypyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxylate
CID 66684323
ethyl 6-[(2R,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxylate
CID 66684324

Frequently Asked Questions

What is the IUPAC name of methyl 8-(3,6-dihydro-2H-pyran-4-yl)-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylate;methyl 6-(4-fluorophenyl)-8-(oxan-4-yl)imidazo[1,2-b]pyridazine-2-carboxylate?
The IUPAC name of methyl 8-(3,6-dihydro-2H-pyran-4-yl)-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylate;methyl 6-(4-fluorophenyl)-8-(oxan-4-yl)imidazo[1,2-b]pyridazine-2-carboxylate (CID 157198105) is methyl 8-(3,6-dihydro-2H-pyran-4-yl)-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylate;methyl 6-(4-fluorophenyl)-8-(oxan-4-yl)imidazo[1,2-b]pyridazine-2-carboxylate.
What is the SMILES notation for methyl 8-(3,6-dihydro-2H-pyran-4-yl)-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylate;methyl 6-(4-fluorophenyl)-8-(oxan-4-yl)imidazo[1,2-b]pyridazine-2-carboxylate?
The canonical SMILES for methyl 8-(3,6-dihydro-2H-pyran-4-yl)-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylate;methyl 6-(4-fluorophenyl)-8-(oxan-4-yl)imidazo[1,2-b]pyridazine-2-carboxylate is COC(=O)c1cn2nc(-c3ccc(F)cc3)cc(C3=CCOCC3)c2n1.COC(=O)c1cn2nc(-c3ccc(F)cc3)cc(C3CCOCC3)c2n1.
What is the InChIKey of methyl 8-(3,6-dihydro-2H-pyran-4-yl)-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylate;methyl 6-(4-fluorophenyl)-8-(oxan-4-yl)imidazo[1,2-b]pyridazine-2-carboxylate?
The InChIKey is AQMCKSSDIJVQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3.C19H16FN3O3/c2*1-25-19(24)17-11-23-18(21-17)15(12-6-8-26-9-7-12)10-16(22-23)13-2-4-14(20)5-3-13/h2-5,10-12H,6-9H2,1H3;2-6,10-11H,7-9H2,1H3.
What are the key properties of methyl 8-(3,6-dihydro-2H-pyran-4-yl)-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylate;methyl 6-(4-fluorophenyl)-8-(oxan-4-yl)imidazo[1,2-b]pyridazine-2-carboxylate?
methyl 8-(3,6-dihydro-2H-pyran-4-yl)-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylate;methyl 6-(4-fluorophenyl)-8-(oxan-4-yl)imidazo[1,2-b]pyridazine-2-carboxylate has a molecular weight of 708.72 g/mol, XLogP of 6.34, 6 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-(3,6-dihydro-2H-pyran-4-yl)-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylate;methyl 6-(4-fluorophenyl)-8-(oxan-4-yl)imidazo[1,2-b]pyridazine-2-carboxylate is sourced from PubChem (CID 157198105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).