4-[4-amino-6-[[(1S)-1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]amino]pyrimidin-5-yl]-2-fluorophenol;5-chloro-4-N-[(1S)-1-[3-chloro-6-(3-chlorophenyl)imidazo[1,2-b]pyridazin-7-yl]ethyl]pyrimidine-4,6-diamine;5-chloro-4-N-[(1S)-1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]pyrimidine-4,6-diamine;4-N-[(1S)-1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]-5-(3-fluorophenyl)pyrimidine-4,6-diamine;4-N-[(1S)-1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]-5-(6-methoxy-3-pyridinyl)pyrimidine-4,6-diamine

C108H88Cl8F2N36O2 — CID 159086630

About 4-[4-amino-6-[[(1S)-1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]amino]pyrimidin-5-yl]-2-fluorophenol;5-chloro-4-N-[(1S)-1-[3-chloro-6-(3-chlorophenyl)imidazo[1,2-b]pyridazin-7-yl]ethyl]pyrimidine-4,6-diamine;5-chloro-4-N-[(1S)-1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]pyrimidine-4,6-diamine;4-N-[(1S)-1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]-5-(3-fluorophenyl)pyrimidine-4,6-diamine;4-N-[(1S)-1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]-5-(6-methoxy-3-pyridinyl)pyrimidine-4,6-diamine

4-[4-amino-6-[[(1S)-1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]amino]pyrimidin-5-yl]-2-fluorophenol;5-chloro-4-N-[(1S)-1-[3-chloro-6-(3-chlorophenyl)imidazo[1,2-b]pyridazin-7-yl]ethyl]pyrimidine-4,6-diamine;5-chloro-4-N-[(1S)-1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]pyrimidine-4,6-diamine;4-N-[(1S)-1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]-5-(3-fluorophenyl)pyrimidine-4,6-diamine;4-N-[(1S)-1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]-5-(6-methoxy-3-pyridinyl)pyrimidine-4,6-diamine (PubChem CID 159086630) has the molecular formula C108H88Cl8F2N36O2 and a molecular weight of 2243.76 g/mol. Its IUPAC name is 4-[4-amino-6-[[(1S)-1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]amino]pyrimidin-5-yl]-2-fluorophenol;5-chloro-4-N-[(1S)-1-[3-chloro-6-(3-chlorophenyl)imidazo[1,2-b]pyridazin-7-yl]ethyl]pyrimidine-4,6-diamine;5-chloro-4-N-[(1S)-1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]pyrimidine-4,6-diamine;4-N-[(1S)-1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]-5-(3-fluorophenyl)pyrimidine-4,6-diamine;4-N-[(1S)-1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]-5-(6-methoxy-3-pyridinyl)pyrimidine-4,6-diamine.

Molecular Properties

• Compound Name: 4-[4-amino-6-[[(1S)-1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]amino]pyrimidin-5-yl]-2-fluorophenol;5-chloro-4-N-[(1S)-1-[3-chloro-6-(3-chlorophenyl)imidazo[1,2-b]pyridazin-7-yl]ethyl]pyrimidine-4,6-diamine;5-chloro-4-N-[(1S)-1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]pyrimidine-4,6-diamine;4-N-[(1S)-1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]-5-(3-fluorophenyl)pyrimidine-4,6-diamine;4-N-[(1S)-1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]-5-(6-methoxy-3-pyridinyl)pyrimidine-4,6-diamine
• PubChem CID: 159086630
• Molecular Formula: C108H88Cl8F2N36O2
• Molecular Weight: 2243.76 g/mol
• Exact Mass: 2238.54
• IUPAC Name: 4-[4-amino-6-[[(1S)-1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]amino]pyrimidin-5-yl]-2-fluorophenol;5-chloro-4-N-[(1S)-1-[3-chloro-6-(3-chlorophenyl)imidazo[1,2-b]pyridazin-7-yl]ethyl]pyrimidine-4,6-diamine;5-chloro-4-N-[(1S)-1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]pyrimidine-4,6-diamine;4-N-[(1S)-1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]-5-(3-fluorophenyl)pyrimidine-4,6-diamine;4-N-[(1S)-1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]-5-(6-methoxy-3-pyridinyl)pyrimidine-4,6-diamine
• SMILES: COc1ccc(-c2c(N)ncnc2N[C@@H](C)c2cc3ncc(Cl)n3nc2-c2ccccc2)cn1.C[C@H](Nc1ncnc(N)c1-c1ccc(O)c(F)c1)c1cc2ncc(Cl)n2nc1-c1ccccc1.C[C@H](Nc1ncnc(N)c1-c1cccc(F)c1)c1cc2ncc(Cl)n2nc1-c1ccccc1.C[C@H](Nc1ncnc(N)c1Cl)c1cc2ncc(Cl)n2nc1-c1cccc(Cl)c1.C[C@H](Nc1ncnc(N)c1Cl)c1cc2ncc(Cl)n2nc1-c1ccccc1
• InChI: InChI=1S/C24H19ClFN7O.C24H19ClFN7.C24H21ClN8O.C18H14Cl3N7.C18H15Cl2N7/c1-13(31-24-21(23(27)29-12-30-24)15-7-8-18(34)17(26)9-15)16-10-20-28-11-19(25)33(20)32-22(16)14-5-3-2-4-6-14;1-14(31-24-21(23(27)29-13-30-24)16-8-5-9-17(26)10-16)18-11-20-28-12-19(25)33(20)32-22(18)15-6-3-2-4-7-15;1-14(31-24-21(23(26)29-13-30-24)16-8-9-20(34-2)28-11-16)17-10-19-27-12-18(25)33(19)32-22(17)15-6-4-3-5-7-15;1-9(26-18-15(21)17(22)24-8-25-18)12-6-14-23-7-13(20)28(14)27-16(12)10-3-2-4-11(19)5-10;1-10(25-18-15(20)17(21)23-9-24-18)12-7-14-22-8-13(19)27(14)26-16(12)11-5-3-2-4-6-11/h2-13,34H,1H3,(H3,27,29,30,31);2-14H,1H3,(H3,27,29,30,31);3-14H,1-2H3,(H3,26,29,30,31);2-9H,1H3,(H3,22,24,25,26);2-10H,1H3,(H3,21,23,24,25)/t13-;2*14-;9-;10-/m00000/s1
• InChIKey: KBNDASJKPOFJGN-MHWCXUAYSA-N
• XLogP: 24.32
• TPSA: 512.45 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 38
• Rotatable Bonds: 24
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2243.76
LogP ≤ 5	24.32
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of 4-[4-amino-6-[[(1S)-1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]amino]pyrimidin-5-yl]-2-fluorophenol;5-chloro-4-N-[(1S)-1-[3-chloro-6-(3-chlorophenyl)imidazo[1,2-b]pyridazin-7-yl]ethyl]pyrimidine-4,6-diamine;5-chloro-4-N-[(1S)-1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]pyrimidine-4,6-diamine;4-N-[(1S)-1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]-5-(3-fluorophenyl)pyrimidine-4,6-diamine;4-N-[(1S)-1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]-5-(6-methoxy-3-pyridinyl)pyrimidine-4,6-diamine?

The IUPAC name of 4-[4-amino-6-[[(1S)-1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]amino]pyrimidin-5-yl]-2-fluorophenol;5-chloro-4-N-[(1S)-1-[3-chloro-6-(3-chlorophenyl)imidazo[1,2-b]pyridazin-7-yl]ethyl]pyrimidine-4,6-diamine;5-chloro-4-N-[(1S)-1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]pyrimidine-4,6-diamine;4-N-[(1S)-1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]-5-(3-fluorophenyl)pyrimidine-4,6-diamine;4-N-[(1S)-1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]-5-(6-methoxy-3-pyridinyl)pyrimidine-4,6-diamine (CID 159086630) is 4-[4-amino-6-[[(1S)-1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]amino]pyrimidin-5-yl]-2-fluorophenol;5-chloro-4-N-[(1S)-1-[3-chloro-6-(3-chlorophenyl)imidazo[1,2-b]pyridazin-7-yl]ethyl]pyrimidine-4,6-diamine;5-chloro-4-N-[(1S)-1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]pyrimidine-4,6-diamine;4-N-[(1S)-1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]-5-(3-fluorophenyl)pyrimidine-4,6-diamine;4-N-[(1S)-1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]-5-(6-methoxy-3-pyridinyl)pyrimidine-4,6-diamine.

What is the SMILES notation for 4-[4-amino-6-[[(1S)-1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]amino]pyrimidin-5-yl]-2-fluorophenol;5-chloro-4-N-[(1S)-1-[3-chloro-6-(3-chlorophenyl)imidazo[1,2-b]pyridazin-7-yl]ethyl]pyrimidine-4,6-diamine;5-chloro-4-N-[(1S)-1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]pyrimidine-4,6-diamine;4-N-[(1S)-1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]-5-(3-fluorophenyl)pyrimidine-4,6-diamine;4-N-[(1S)-1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]-5-(6-methoxy-3-pyridinyl)pyrimidine-4,6-diamine?

The canonical SMILES for 4-[4-amino-6-[[(1S)-1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]amino]pyrimidin-5-yl]-2-fluorophenol;5-chloro-4-N-[(1S)-1-[3-chloro-6-(3-chlorophenyl)imidazo[1,2-b]pyridazin-7-yl]ethyl]pyrimidine-4,6-diamine;5-chloro-4-N-[(1S)-1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]pyrimidine-4,6-diamine;4-N-[(1S)-1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]-5-(3-fluorophenyl)pyrimidine-4,6-diamine;4-N-[(1S)-1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]-5-(6-methoxy-3-pyridinyl)pyrimidine-4,6-diamine is COc1ccc(-c2c(N)ncnc2N[C@@H](C)c2cc3ncc(Cl)n3nc2-c2ccccc2)cn1.C[C@H](Nc1ncnc(N)c1-c1ccc(O)c(F)c1)c1cc2ncc(Cl)n2nc1-c1ccccc1.C[C@H](Nc1ncnc(N)c1-c1cccc(F)c1)c1cc2ncc(Cl)n2nc1-c1ccccc1.C[C@H](Nc1ncnc(N)c1Cl)c1cc2ncc(Cl)n2nc1-c1cccc(Cl)c1.C[C@H](Nc1ncnc(N)c1Cl)c1cc2ncc(Cl)n2nc1-c1ccccc1.

What is the InChIKey of 4-[4-amino-6-[[(1S)-1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]amino]pyrimidin-5-yl]-2-fluorophenol;5-chloro-4-N-[(1S)-1-[3-chloro-6-(3-chlorophenyl)imidazo[1,2-b]pyridazin-7-yl]ethyl]pyrimidine-4,6-diamine;5-chloro-4-N-[(1S)-1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]pyrimidine-4,6-diamine;4-N-[(1S)-1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]-5-(3-fluorophenyl)pyrimidine-4,6-diamine;4-N-[(1S)-1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]-5-(6-methoxy-3-pyridinyl)pyrimidine-4,6-diamine?

The InChIKey is KBNDASJKPOFJGN-MHWCXUAYSA-N. The full InChI is InChI=1S/C24H19ClFN7O.C24H19ClFN7.C24H21ClN8O.C18H14Cl3N7.C18H15Cl2N7/c1-13(31-24-21(23(27)29-12-30-24)15-7-8-18(34)17(26)9-15)16-10-20-28-11-19(25)33(20)32-22(16)14-5-3-2-4-6-14;1-14(31-24-21(23(27)29-13-30-24)16-8-5-9-17(26)10-16)18-11-20-28-12-19(25)33(20)32-22(18)15-6-3-2-4-7-15;1-14(31-24-21(23(26)29-13-30-24)16-8-9-20(34-2)28-11-16)17-10-19-27-12-18(25)33(19)32-22(17)15-6-4-3-5-7-15;1-9(26-18-15(21)17(22)24-8-25-18)12-6-14-23-7-13(20)28(14)27-16(12)10-3-2-4-11(19)5-10;1-10(25-18-15(20)17(21)23-9-24-18)12-7-14-22-8-13(19)27(14)26-16(12)11-5-3-2-4-6-11/h2-13,34H,1H3,(H3,27,29,30,31);2-14H,1H3,(H3,27,29,30,31);3-14H,1-2H3,(H3,26,29,30,31);2-9H,1H3,(H3,22,24,25,26);2-10H,1H3,(H3,21,23,24,25)/t13-;2*14-;9-;10-/m00000/s1.

What are the key properties of 4-[4-amino-6-[[(1S)-1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]amino]pyrimidin-5-yl]-2-fluorophenol;5-chloro-4-N-[(1S)-1-[3-chloro-6-(3-chlorophenyl)imidazo[1,2-b]pyridazin-7-yl]ethyl]pyrimidine-4,6-diamine;5-chloro-4-N-[(1S)-1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]pyrimidine-4,6-diamine;4-N-[(1S)-1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]-5-(3-fluorophenyl)pyrimidine-4,6-diamine;4-N-[(1S)-1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]-5-(6-methoxy-3-pyridinyl)pyrimidine-4,6-diamine?

4-[4-amino-6-[[(1S)-1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]amino]pyrimidin-5-yl]-2-fluorophenol;5-chloro-4-N-[(1S)-1-[3-chloro-6-(3-chlorophenyl)imidazo[1,2-b]pyridazin-7-yl]ethyl]pyrimidine-4,6-diamine;5-chloro-4-N-[(1S)-1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]pyrimidine-4,6-diamine;4-N-[(1S)-1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]-5-(3-fluorophenyl)pyrimidine-4,6-diamine;4-N-[(1S)-1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]-5-(6-methoxy-3-pyridinyl)pyrimidine-4,6-diamine has a molecular weight of 2243.76 g/mol, XLogP of 24.32, 24 rotatable bonds, 11 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-amino-6-[[(1S)-1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]amino]pyrimidin-5-yl]-2-fluorophenol;5-chloro-4-N-[(1S)-1-[3-chloro-6-(3-chlorophenyl)imidazo[1,2-b]pyridazin-7-yl]ethyl]pyrimidine-4,6-diamine;5-chloro-4-N-[(1S)-1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]pyrimidine-4,6-diamine;4-N-[(1S)-1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]-5-(3-fluorophenyl)pyrimidine-4,6-diamine;4-N-[(1S)-1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]-5-(6-methoxy-3-pyridinyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 159086630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).