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

C73H72BBrF4N14O4 — CID 159869969

About 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

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 (PubChem CID 159869969) has the molecular formula C73H72BBrF4N14O4 and a molecular weight of 1376.18 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 159869969
• Molecular Formula: C73H72BBrF4N14O4
• Molecular Weight: 1376.18 g/mol
• Exact Mass: 1374.51
• IUPAC Name: 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
• SMILES: CC1(C)OB(c2ccc(C=O)cc2)OC1(C)C.Cc1cc(-c2ccc3ncc(-c4ccc(C=O)cc4)n3n2)ccn1.Cc1cc(-c2ccc3ncc(-c4ccc(CN5CCCC(F)(F)C5)cc4)n3n2)ccn1.Cc1cc(-c2ccc3ncc(Br)n3n2)ccn1.FC1(F)CCCNC1
• InChI: InChI=1S/C24H23F2N5.C19H14N4O.C13H17BO3.C12H9BrN4.C5H9F2N/c1-17-13-20(9-11-27-17)21-7-8-23-28-14-22(31(23)29-21)19-5-3-18(4-6-19)15-30-12-2-10-24(25,26)16-30;1-13-10-16(8-9-20-13)17-6-7-19-21-11-18(23(19)22-17)15-4-2-14(12-24)3-5-15;1-12(2)13(3,4)17-14(16-12)11-7-5-10(9-15)6-8-11;1-8-6-9(4-5-14-8)10-2-3-12-15-7-11(13)17(12)16-10;6-5(7)2-1-3-8-4-5/h3-9,11,13-14H,2,10,12,15-16H2,1H3;2-12H,1H3;5-9H,1-4H3;2-7H,1H3;8H,1-4H2
• InChIKey: NSFHSNUIULRIGJ-UHFFFAOYSA-N
• XLogP: 14.24
• TPSA: 197.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 18
• Rotatable Bonds: 10
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1376.18
LogP ≤ 5	14.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CC1(C)OB(c2ccc(C=O)cc2)OC1(C)C.Cc1cc(-c2ccc3ncc(-c4ccc(C=O)cc4)n3n2)ccn1.Cc1cc(-c2ccc3ncc(-c4ccc(CN5CCCC(F)(F)C5)cc4)n3n2)ccn1.Cc1cc(-c2ccc3ncc(Br)n3n2)ccn1.FC1(F)CCCNC1.

What is the InChIKey of 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?

The InChIKey is NSFHSNUIULRIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N5.C19H14N4O.C13H17BO3.C12H9BrN4.C5H9F2N/c1-17-13-20(9-11-27-17)21-7-8-23-28-14-22(31(23)29-21)19-5-3-18(4-6-19)15-30-12-2-10-24(25,26)16-30;1-13-10-16(8-9-20-13)17-6-7-19-21-11-18(23(19)22-17)15-4-2-14(12-24)3-5-15;1-12(2)13(3,4)17-14(16-12)11-7-5-10(9-15)6-8-11;1-8-6-9(4-5-14-8)10-2-3-12-15-7-11(13)17(12)16-10;6-5(7)2-1-3-8-4-5/h3-9,11,13-14H,2,10,12,15-16H2,1H3;2-12H,1H3;5-9H,1-4H3;2-7H,1H3;8H,1-4H2.

What are the key properties of 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?

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 has a molecular weight of 1376.18 g/mol, XLogP of 14.24, 10 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 159869969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).