3-bromo-6-pyridin-4-ylimidazo[1,2-b]pyridazine;3,3-difluoropiperidine;3-[4-[(3,3-difluoropiperidin-1-yl)methyl]phenyl]-6-pyridin-4-ylimidazo[1,2-b]pyridazine;4-(6-pyridin-4-ylimidazo[1,2-b]pyridazin-3-yl)benzaldehyde;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde

C70H66BBrF4N14O4 — CID 162245593

IUPAC3-bromo-6-pyridin-4-ylimidazo[1,2-b]pyridazine;3,3-difluoropiperidine;3-[4-[(3,3-difluoropiperidin-1-yl)methyl]phenyl]-6-pyridin-4-ylimidazo[1,2-b]pyridazine;4-(6-pyridin-4-ylimidazo[1,2-b]pyridazin-3-yl)benzaldehyde;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde
SMILESBrc1cnc2ccc(-c3ccncc3)nn12.CC1(C)OB(c2ccc(C=O)cc2)OC1(C)C.FC1(F)CCCN(Cc2ccc(-c3cnc4ccc(-c5ccncc5)nn34)cc2)C1.FC1(F)CCCNC1.O=Cc1ccc(-c2cnc3ccc(-c4ccncc4)nn23)cc1
InChIInChI=1S/C23H21F2N5.C18H12N4O.C13H17BO3.C11H7BrN4.C5H9F2N/c24-23(25)10-1-13-29(16-23)15-17-2-4-19(5-3-17)21-14-27-22-7-6-20(28-30(21)22)18-8-11-26-12-9-18;23-12-13-1-3-15(4-2-13)17-11-20-18-6-5-16(21-22(17)18)14-7-9-19-10-8-14;1-12(2)13(3,4)17-14(16-12)11-7-5-10(9-15)6-8-11;12-10-7-14-11-2-1-9(15-16(10)11)8-3-5-13-6-4-8;6-5(7)2-1-3-8-4-5/h2-9,11-12,14H,1,10,13,15-16H2;1-12H;5-9H,1-4H3;1-7H;8H,1-4H2
InChIKeyZXHFHIBGODCIAO-UHFFFAOYSA-N
MW1334.10 g/mol
LogP13.32
Rot. Bonds10

About 3-bromo-6-pyridin-4-ylimidazo[1,2-b]pyridazine;3,3-difluoropiperidine;3-[4-[(3,3-difluoropiperidin-1-yl)methyl]phenyl]-6-pyridin-4-ylimidazo[1,2-b]pyridazine;4-(6-pyridin-4-ylimidazo[1,2-b]pyridazin-3-yl)benzaldehyde;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde

3-bromo-6-pyridin-4-ylimidazo[1,2-b]pyridazine;3,3-difluoropiperidine;3-[4-[(3,3-difluoropiperidin-1-yl)methyl]phenyl]-6-pyridin-4-ylimidazo[1,2-b]pyridazine;4-(6-pyridin-4-ylimidazo[1,2-b]pyridazin-3-yl)benzaldehyde;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde (PubChem CID 162245593) has the molecular formula C70H66BBrF4N14O4 and a molecular weight of 1334.10 g/mol. Its IUPAC name is 3-bromo-6-pyridin-4-ylimidazo[1,2-b]pyridazine;3,3-difluoropiperidine;3-[4-[(3,3-difluoropiperidin-1-yl)methyl]phenyl]-6-pyridin-4-ylimidazo[1,2-b]pyridazine;4-(6-pyridin-4-ylimidazo[1,2-b]pyridazin-3-yl)benzaldehyde;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde.

Molecular Properties

Compound Name3-bromo-6-pyridin-4-ylimidazo[1,2-b]pyridazine;3,3-difluoropiperidine;3-[4-[(3,3-difluoropiperidin-1-yl)methyl]phenyl]-6-pyridin-4-ylimidazo[1,2-b]pyridazine;4-(6-pyridin-4-ylimidazo[1,2-b]pyridazin-3-yl)benzaldehyde;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde
PubChem CID162245593
Molecular FormulaC70H66BBrF4N14O4
Molecular Weight1334.10 g/mol
Exact Mass1332.46
IUPAC Name3-bromo-6-pyridin-4-ylimidazo[1,2-b]pyridazine;3,3-difluoropiperidine;3-[4-[(3,3-difluoropiperidin-1-yl)methyl]phenyl]-6-pyridin-4-ylimidazo[1,2-b]pyridazine;4-(6-pyridin-4-ylimidazo[1,2-b]pyridazin-3-yl)benzaldehyde;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde
SMILESBrc1cnc2ccc(-c3ccncc3)nn12.CC1(C)OB(c2ccc(C=O)cc2)OC1(C)C.FC1(F)CCCN(Cc2ccc(-c3cnc4ccc(-c5ccncc5)nn34)cc2)C1.FC1(F)CCCNC1.O=Cc1ccc(-c2cnc3ccc(-c4ccncc4)nn23)cc1
InChIInChI=1S/C23H21F2N5.C18H12N4O.C13H17BO3.C11H7BrN4.C5H9F2N/c24-23(25)10-1-13-29(16-23)15-17-2-4-19(5-3-17)21-14-27-22-7-6-20(28-30(21)22)18-8-11-26-12-9-18;23-12-13-1-3-15(4-2-13)17-11-20-18-6-5-16(21-22(17)18)14-7-9-19-10-8-14;1-12(2)13(3,4)17-14(16-12)11-7-5-10(9-15)6-8-11;12-10-7-14-11-2-1-9(15-16(10)11)8-3-5-13-6-4-8;6-5(7)2-1-3-8-4-5/h2-9,11-12,14H,1,10,13,15-16H2;1-12H;5-9H,1-4H3;1-7H;8H,1-4H2
InChIKeyZXHFHIBGODCIAO-UHFFFAOYSA-N
XLogP13.32
TPSA197.11 Ų
H-Bond Donors1
H-Bond Acceptors18
Rotatable Bonds10
Heavy Atoms94
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001334.10
LogP ≤ 513.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze 3-bromo-6-pyridin-4-ylimidazo[1,2-b]pyridazine;3,3-difluoropiperidine;3-[4-[(3,3-difluoropiperidin-1-yl)methyl]phenyl]-6-pyridin-4-ylimidazo[1,2-b]pyridazine;4-(6-pyridin-4-ylimidazo[1,2-b]pyridazin-3-yl)benzaldehyde;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde with MolForge

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Related Compounds

3-Bromoimidazo[1,2-b]pyridazine;1-(3-ethynyl-4-methylphenyl)-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;bis(1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone);methane;dihydrochloride
CID 157541998
3-[2-[8-(diaminomethylideneamino)imidazo[1,2-a]pyridin-3-yl]ethynyl]-4-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide;1-[3-[2-[8-(4,5-dihydro-1H-imidazol-2-ylamino)imidazo[1,2-a]pyridin-3-yl]ethynyl]-4-methylphenyl]-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone;1-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-[4-(pyrrolidin-1-ylmethyl)-3-(trifluoromethyl)phenyl]ethanone;2-[6-[2-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-oxoethyl]-4-(trifluoromethyl)-3-pyridinyl]ethanimidamide
CID 158819937
5-[3-(2,3-difluorophenyl)imidazo[1,2-b]pyridazin-8-yl]-2-methyl-N-(4-methylphenyl)benzamide;5-[3-(2,3-difluorophenyl)imidazo[1,2-b]pyridazin-8-yl]-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide;5-[3-(2,3-difluorophenyl)imidazo[1,2-b]pyridazin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;methane;N-(4-methylphenyl)-5-(3-pyridin-3-ylimidazo[1,2-b]pyridazin-8-yl)-2-(trifluoromethyl)benzamide
CID 158846194
5,5,5-Trifluoro-1-[3-[7-(6-piperidin-1-ylpyridazin-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one;5,5,5-trifluoro-1-[3-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one
CID 159079897
2-Cyclopropyl-1-[4-[6-(2-methylpyrazol-3-yl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]ethanethione;4-[6-(2-methylpyrazol-3-yl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]benzaldehyde
CID 159138334
3-Bromo-6-(2-methyl-4-pyridinyl)imidazo[1,2-b]pyridazine;3,3-difluoropiperidine;3-[4-[(3,3-difluoropiperidin-1-yl)methyl]phenyl]-6-(2-methyl-4-pyridinyl)imidazo[1,2-b]pyridazine;4-[6-(2-methyl-4-pyridinyl)imidazo[1,2-b]pyridazin-3-yl]benzaldehyde;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde
CID 159869969
4-(6-chloroimidazo[1,2-b]pyridazin-8-yl)morpholine;N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 160010068
[4-[8-Tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-pyridin-2-ylmethanone;4-[8-tert-butyl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;[3,3-dimethyl-4-[8-propan-2-yl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-pyridazin-3-ylmethanone;[3,3-dimethyl-4-[8-propan-2-yl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-pyridin-2-ylmethanone
CID 160165517
5-[3-(2,3-difluorophenyl)imidazo[1,2-b]pyridazin-8-yl]-2-methyl-N-(4-methylphenyl)benzamide;5-[3-(2,3-difluorophenyl)imidazo[1,2-b]pyridazin-8-yl]-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide;5-[3-(2,3-difluorophenyl)imidazo[1,2-b]pyridazin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-(3-pyridin-3-ylimidazo[1,2-b]pyridazin-8-yl)-2-(trifluoromethyl)benzamide
CID 160268716
4-[8-amino-3-[(7R)-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-methyl-2-pyridinyl)benzamide;4-[8-amino-3-[(7S)-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-methyl-2-pyridinyl)benzamide
CID 160681164
3-Bromo-6-pyridin-4-ylimidazo[1,2-b]pyridazine;3-(6-chloro-3-pyridinyl)-6-pyridin-4-ylimidazo[1,2-b]pyridazine;2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;3,3-difluoropiperidine;3-[6-(3,3-difluoropiperidin-1-yl)-3-pyridinyl]-6-pyridin-4-ylimidazo[1,2-b]pyridazine
CID 160775485
4-[4-amino-1-[(3R)-pyrrolidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-N-(4-isocyano-2-pyridinyl)benzamide;tert-butyl (3R)-3-[4-amino-3-[4-[(4-isocyano-2-pyridinyl)carbamoyl]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]pyrrolidine-1-carboxylate;2,2,2-trifluoroacetaldehyde
CID 160850576

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-pyridin-4-ylimidazo[1,2-b]pyridazine;3,3-difluoropiperidine;3-[4-[(3,3-difluoropiperidin-1-yl)methyl]phenyl]-6-pyridin-4-ylimidazo[1,2-b]pyridazine;4-(6-pyridin-4-ylimidazo[1,2-b]pyridazin-3-yl)benzaldehyde;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde?
The IUPAC name of 3-bromo-6-pyridin-4-ylimidazo[1,2-b]pyridazine;3,3-difluoropiperidine;3-[4-[(3,3-difluoropiperidin-1-yl)methyl]phenyl]-6-pyridin-4-ylimidazo[1,2-b]pyridazine;4-(6-pyridin-4-ylimidazo[1,2-b]pyridazin-3-yl)benzaldehyde;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde (CID 162245593) is 3-bromo-6-pyridin-4-ylimidazo[1,2-b]pyridazine;3,3-difluoropiperidine;3-[4-[(3,3-difluoropiperidin-1-yl)methyl]phenyl]-6-pyridin-4-ylimidazo[1,2-b]pyridazine;4-(6-pyridin-4-ylimidazo[1,2-b]pyridazin-3-yl)benzaldehyde;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde.
What is the SMILES notation for 3-bromo-6-pyridin-4-ylimidazo[1,2-b]pyridazine;3,3-difluoropiperidine;3-[4-[(3,3-difluoropiperidin-1-yl)methyl]phenyl]-6-pyridin-4-ylimidazo[1,2-b]pyridazine;4-(6-pyridin-4-ylimidazo[1,2-b]pyridazin-3-yl)benzaldehyde;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde?
The canonical SMILES for 3-bromo-6-pyridin-4-ylimidazo[1,2-b]pyridazine;3,3-difluoropiperidine;3-[4-[(3,3-difluoropiperidin-1-yl)methyl]phenyl]-6-pyridin-4-ylimidazo[1,2-b]pyridazine;4-(6-pyridin-4-ylimidazo[1,2-b]pyridazin-3-yl)benzaldehyde;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde is Brc1cnc2ccc(-c3ccncc3)nn12.CC1(C)OB(c2ccc(C=O)cc2)OC1(C)C.FC1(F)CCCN(Cc2ccc(-c3cnc4ccc(-c5ccncc5)nn34)cc2)C1.FC1(F)CCCNC1.O=Cc1ccc(-c2cnc3ccc(-c4ccncc4)nn23)cc1.
What is the InChIKey of 3-bromo-6-pyridin-4-ylimidazo[1,2-b]pyridazine;3,3-difluoropiperidine;3-[4-[(3,3-difluoropiperidin-1-yl)methyl]phenyl]-6-pyridin-4-ylimidazo[1,2-b]pyridazine;4-(6-pyridin-4-ylimidazo[1,2-b]pyridazin-3-yl)benzaldehyde;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde?
The InChIKey is ZXHFHIBGODCIAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N5.C18H12N4O.C13H17BO3.C11H7BrN4.C5H9F2N/c24-23(25)10-1-13-29(16-23)15-17-2-4-19(5-3-17)21-14-27-22-7-6-20(28-30(21)22)18-8-11-26-12-9-18;23-12-13-1-3-15(4-2-13)17-11-20-18-6-5-16(21-22(17)18)14-7-9-19-10-8-14;1-12(2)13(3,4)17-14(16-12)11-7-5-10(9-15)6-8-11;12-10-7-14-11-2-1-9(15-16(10)11)8-3-5-13-6-4-8;6-5(7)2-1-3-8-4-5/h2-9,11-12,14H,1,10,13,15-16H2;1-12H;5-9H,1-4H3;1-7H;8H,1-4H2.
What are the key properties of 3-bromo-6-pyridin-4-ylimidazo[1,2-b]pyridazine;3,3-difluoropiperidine;3-[4-[(3,3-difluoropiperidin-1-yl)methyl]phenyl]-6-pyridin-4-ylimidazo[1,2-b]pyridazine;4-(6-pyridin-4-ylimidazo[1,2-b]pyridazin-3-yl)benzaldehyde;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde?
3-bromo-6-pyridin-4-ylimidazo[1,2-b]pyridazine;3,3-difluoropiperidine;3-[4-[(3,3-difluoropiperidin-1-yl)methyl]phenyl]-6-pyridin-4-ylimidazo[1,2-b]pyridazine;4-(6-pyridin-4-ylimidazo[1,2-b]pyridazin-3-yl)benzaldehyde;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde has a molecular weight of 1334.10 g/mol, XLogP of 13.32, 10 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-pyridin-4-ylimidazo[1,2-b]pyridazine;3,3-difluoropiperidine;3-[4-[(3,3-difluoropiperidin-1-yl)methyl]phenyl]-6-pyridin-4-ylimidazo[1,2-b]pyridazine;4-(6-pyridin-4-ylimidazo[1,2-b]pyridazin-3-yl)benzaldehyde;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde is sourced from PubChem (CID 162245593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).