N-(4-chlorophenyl)-6-[4-[5-[4-[4-(4-fluorophenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-3-yl]phenyl]pyrimidin-2-yl]piperazin-1-yl]-3-[3-[2-[4-(5-morpholin-4-yl-6-phenylpyridazin-3-yl)piperazin-1-yl]pyrimidin-5-yl]phenyl]pyridazin-4-amine

C70H64ClFN20O — CID 143573055

About N-(4-chlorophenyl)-6-[4-[5-[4-[4-(4-fluorophenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-3-yl]phenyl]pyrimidin-2-yl]piperazin-1-yl]-3-[3-[2-[4-(5-morpholin-4-yl-6-phenylpyridazin-3-yl)piperazin-1-yl]pyrimidin-5-yl]phenyl]pyridazin-4-amine

N-(4-chlorophenyl)-6-[4-[5-[4-[4-(4-fluorophenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-3-yl]phenyl]pyrimidin-2-yl]piperazin-1-yl]-3-[3-[2-[4-(5-morpholin-4-yl-6-phenylpyridazin-3-yl)piperazin-1-yl]pyrimidin-5-yl]phenyl]pyridazin-4-amine (PubChem CID 143573055) has the molecular formula C70H64ClFN20O and a molecular weight of 1255.87 g/mol. Its IUPAC name is N-(4-chlorophenyl)-6-[4-[5-[4-[4-(4-fluorophenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-3-yl]phenyl]pyrimidin-2-yl]piperazin-1-yl]-3-[3-[2-[4-(5-morpholin-4-yl-6-phenylpyridazin-3-yl)piperazin-1-yl]pyrimidin-5-yl]phenyl]pyridazin-4-amine.

Molecular Properties

• Compound Name: N-(4-chlorophenyl)-6-[4-[5-[4-[4-(4-fluorophenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-3-yl]phenyl]pyrimidin-2-yl]piperazin-1-yl]-3-[3-[2-[4-(5-morpholin-4-yl-6-phenylpyridazin-3-yl)piperazin-1-yl]pyrimidin-5-yl]phenyl]pyridazin-4-amine
• PubChem CID: 143573055
• Molecular Formula: C70H64ClFN20O
• Molecular Weight: 1255.87 g/mol
• Exact Mass: 1254.52
• IUPAC Name: N-(4-chlorophenyl)-6-[4-[5-[4-[4-(4-fluorophenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-3-yl]phenyl]pyrimidin-2-yl]piperazin-1-yl]-3-[3-[2-[4-(5-morpholin-4-yl-6-phenylpyridazin-3-yl)piperazin-1-yl]pyrimidin-5-yl]phenyl]pyridazin-4-amine
• SMILES: Fc1ccc(-c2cc(N3CCN(c4ncccn4)CC3)nnc2-c2ccc(-c3cnc(N4CCN(c5cc(Nc6ccc(Cl)cc6)c(-c6cccc(-c7cnc(N8CCN(c9cc(N%10CCOCC%10)c(-c%10ccccc%10)nn9)CC8)nc7)c6)nn5)CC4)nc3)cc2)cc1
• InChI: InChI=1S/C70H64ClFN20O/c71-56-16-20-58(21-17-56)79-60-42-63(81-84-66(60)53-9-4-8-52(40-53)55-46-77-70(78-47-55)92-34-28-89(29-35-92)64-43-61(86-36-38-93-39-37-86)67(85-82-64)50-6-2-1-3-7-50)88-26-32-91(33-27-88)69-75-44-54(45-76-69)48-10-12-51(13-11-48)65-59(49-14-18-57(72)19-15-49)41-62(80-83-65)87-24-30-90(31-25-87)68-73-22-5-23-74-68/h1-23,40-47H,24-39H2,(H,79,81)
• InChIKey: IJPUVXQAIBGRDL-UHFFFAOYSA-N
• XLogP: 10.78
• TPSA: 198.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 21
• Rotatable Bonds: 15
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1255.87
LogP ≤ 5	10.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-6-[4-[5-[4-[4-(4-fluorophenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-3-yl]phenyl]pyrimidin-2-yl]piperazin-1-yl]-3-[3-[2-[4-(5-morpholin-4-yl-6-phenylpyridazin-3-yl)piperazin-1-yl]pyrimidin-5-yl]phenyl]pyridazin-4-amine?

The IUPAC name of N-(4-chlorophenyl)-6-[4-[5-[4-[4-(4-fluorophenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-3-yl]phenyl]pyrimidin-2-yl]piperazin-1-yl]-3-[3-[2-[4-(5-morpholin-4-yl-6-phenylpyridazin-3-yl)piperazin-1-yl]pyrimidin-5-yl]phenyl]pyridazin-4-amine (CID 143573055) is N-(4-chlorophenyl)-6-[4-[5-[4-[4-(4-fluorophenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-3-yl]phenyl]pyrimidin-2-yl]piperazin-1-yl]-3-[3-[2-[4-(5-morpholin-4-yl-6-phenylpyridazin-3-yl)piperazin-1-yl]pyrimidin-5-yl]phenyl]pyridazin-4-amine.

What is the SMILES notation for N-(4-chlorophenyl)-6-[4-[5-[4-[4-(4-fluorophenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-3-yl]phenyl]pyrimidin-2-yl]piperazin-1-yl]-3-[3-[2-[4-(5-morpholin-4-yl-6-phenylpyridazin-3-yl)piperazin-1-yl]pyrimidin-5-yl]phenyl]pyridazin-4-amine?

The canonical SMILES for N-(4-chlorophenyl)-6-[4-[5-[4-[4-(4-fluorophenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-3-yl]phenyl]pyrimidin-2-yl]piperazin-1-yl]-3-[3-[2-[4-(5-morpholin-4-yl-6-phenylpyridazin-3-yl)piperazin-1-yl]pyrimidin-5-yl]phenyl]pyridazin-4-amine is Fc1ccc(-c2cc(N3CCN(c4ncccn4)CC3)nnc2-c2ccc(-c3cnc(N4CCN(c5cc(Nc6ccc(Cl)cc6)c(-c6cccc(-c7cnc(N8CCN(c9cc(N%10CCOCC%10)c(-c%10ccccc%10)nn9)CC8)nc7)c6)nn5)CC4)nc3)cc2)cc1.

What is the InChIKey of N-(4-chlorophenyl)-6-[4-[5-[4-[4-(4-fluorophenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-3-yl]phenyl]pyrimidin-2-yl]piperazin-1-yl]-3-[3-[2-[4-(5-morpholin-4-yl-6-phenylpyridazin-3-yl)piperazin-1-yl]pyrimidin-5-yl]phenyl]pyridazin-4-amine?

The InChIKey is IJPUVXQAIBGRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H64ClFN20O/c71-56-16-20-58(21-17-56)79-60-42-63(81-84-66(60)53-9-4-8-52(40-53)55-46-77-70(78-47-55)92-34-28-89(29-35-92)64-43-61(86-36-38-93-39-37-86)67(85-82-64)50-6-2-1-3-7-50)88-26-32-91(33-27-88)69-75-44-54(45-76-69)48-10-12-51(13-11-48)65-59(49-14-18-57(72)19-15-49)41-62(80-83-65)87-24-30-90(31-25-87)68-73-22-5-23-74-68/h1-23,40-47H,24-39H2,(H,79,81).

What are the key properties of N-(4-chlorophenyl)-6-[4-[5-[4-[4-(4-fluorophenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-3-yl]phenyl]pyrimidin-2-yl]piperazin-1-yl]-3-[3-[2-[4-(5-morpholin-4-yl-6-phenylpyridazin-3-yl)piperazin-1-yl]pyrimidin-5-yl]phenyl]pyridazin-4-amine?

N-(4-chlorophenyl)-6-[4-[5-[4-[4-(4-fluorophenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-3-yl]phenyl]pyrimidin-2-yl]piperazin-1-yl]-3-[3-[2-[4-(5-morpholin-4-yl-6-phenylpyridazin-3-yl)piperazin-1-yl]pyrimidin-5-yl]phenyl]pyridazin-4-amine has a molecular weight of 1255.87 g/mol, XLogP of 10.78, 15 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-chlorophenyl)-6-[4-[5-[4-[4-(4-fluorophenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-3-yl]phenyl]pyrimidin-2-yl]piperazin-1-yl]-3-[3-[2-[4-(5-morpholin-4-yl-6-phenylpyridazin-3-yl)piperazin-1-yl]pyrimidin-5-yl]phenyl]pyridazin-4-amine is sourced from PubChem (CID 143573055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).