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

C69H71ClN22O — CID 143572544

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

N-(4-chlorophenyl)-3-[3-[2-[4-[6-[4-[2-[4-[5-(4-methylpiperazin-1-yl)-6-phenylpyridazin-3-yl]piperazin-1-yl]pyrimidin-5-yl]phenyl]-5-morpholin-4-ylpyridazin-3-yl]piperazin-1-yl]pyrimidin-5-yl]phenyl]-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-4-amine (PubChem CID 143572544) has the molecular formula C69H71ClN22O and a molecular weight of 1259.93 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-[3-[2-[4-[6-[4-[2-[4-[5-(4-methylpiperazin-1-yl)-6-phenylpyridazin-3-yl]piperazin-1-yl]pyrimidin-5-yl]phenyl]-5-morpholin-4-ylpyridazin-3-yl]piperazin-1-yl]pyrimidin-5-yl]phenyl]-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-4-amine.

Molecular Properties

• Compound Name: N-(4-chlorophenyl)-3-[3-[2-[4-[6-[4-[2-[4-[5-(4-methylpiperazin-1-yl)-6-phenylpyridazin-3-yl]piperazin-1-yl]pyrimidin-5-yl]phenyl]-5-morpholin-4-ylpyridazin-3-yl]piperazin-1-yl]pyrimidin-5-yl]phenyl]-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-4-amine
• PubChem CID: 143572544
• Molecular Formula: C69H71ClN22O
• Molecular Weight: 1259.93 g/mol
• Exact Mass: 1258.59
• IUPAC Name: N-(4-chlorophenyl)-3-[3-[2-[4-[6-[4-[2-[4-[5-(4-methylpiperazin-1-yl)-6-phenylpyridazin-3-yl]piperazin-1-yl]pyrimidin-5-yl]phenyl]-5-morpholin-4-ylpyridazin-3-yl]piperazin-1-yl]pyrimidin-5-yl]phenyl]-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-4-amine
• SMILES: CN1CCN(c2cc(N3CCN(c4ncc(-c5ccc(-c6nnc(N7CCN(c8ncc(-c9cccc(-c%10nnc(N%11CCN(c%12ncccn%12)CC%11)cc%10Nc%10ccc(Cl)cc%10)c9)cn8)CC7)cc6N6CCOCC6)cc5)cn4)CC3)nnc2-c2ccccc2)CC1
• InChI: InChI=1S/C69H71ClN22O/c1-84-21-23-85(24-22-84)59-43-62(79-82-65(59)50-7-3-2-4-8-50)88-27-33-91(34-28-88)68-73-45-54(46-74-68)49-11-13-51(14-12-49)66-60(86-37-39-93-40-38-86)44-63(80-83-66)89-29-35-92(36-30-89)69-75-47-55(48-76-69)52-9-5-10-53(41-52)64-58(77-57-17-15-56(70)16-18-57)42-61(78-81-64)87-25-31-90(32-26-87)67-71-19-6-20-72-67/h2-20,41-48H,21-40H2,1H3,(H,77,78)
• InChIKey: GVKVDRVCXREAHM-UHFFFAOYSA-N
• XLogP: 8.73
• TPSA: 205.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 23
• Rotatable Bonds: 15
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1259.93
LogP ≤ 5	8.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

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

The IUPAC name of N-(4-chlorophenyl)-3-[3-[2-[4-[6-[4-[2-[4-[5-(4-methylpiperazin-1-yl)-6-phenylpyridazin-3-yl]piperazin-1-yl]pyrimidin-5-yl]phenyl]-5-morpholin-4-ylpyridazin-3-yl]piperazin-1-yl]pyrimidin-5-yl]phenyl]-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-4-amine (CID 143572544) is N-(4-chlorophenyl)-3-[3-[2-[4-[6-[4-[2-[4-[5-(4-methylpiperazin-1-yl)-6-phenylpyridazin-3-yl]piperazin-1-yl]pyrimidin-5-yl]phenyl]-5-morpholin-4-ylpyridazin-3-yl]piperazin-1-yl]pyrimidin-5-yl]phenyl]-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-4-amine.

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

The canonical SMILES for N-(4-chlorophenyl)-3-[3-[2-[4-[6-[4-[2-[4-[5-(4-methylpiperazin-1-yl)-6-phenylpyridazin-3-yl]piperazin-1-yl]pyrimidin-5-yl]phenyl]-5-morpholin-4-ylpyridazin-3-yl]piperazin-1-yl]pyrimidin-5-yl]phenyl]-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-4-amine is CN1CCN(c2cc(N3CCN(c4ncc(-c5ccc(-c6nnc(N7CCN(c8ncc(-c9cccc(-c%10nnc(N%11CCN(c%12ncccn%12)CC%11)cc%10Nc%10ccc(Cl)cc%10)c9)cn8)CC7)cc6N6CCOCC6)cc5)cn4)CC3)nnc2-c2ccccc2)CC1.

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

The InChIKey is GVKVDRVCXREAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H71ClN22O/c1-84-21-23-85(24-22-84)59-43-62(79-82-65(59)50-7-3-2-4-8-50)88-27-33-91(34-28-88)68-73-45-54(46-74-68)49-11-13-51(14-12-49)66-60(86-37-39-93-40-38-86)44-63(80-83-66)89-29-35-92(36-30-89)69-75-47-55(48-76-69)52-9-5-10-53(41-52)64-58(77-57-17-15-56(70)16-18-57)42-61(78-81-64)87-25-31-90(32-26-87)67-71-19-6-20-72-67/h2-20,41-48H,21-40H2,1H3,(H,77,78).

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

N-(4-chlorophenyl)-3-[3-[2-[4-[6-[4-[2-[4-[5-(4-methylpiperazin-1-yl)-6-phenylpyridazin-3-yl]piperazin-1-yl]pyrimidin-5-yl]phenyl]-5-morpholin-4-ylpyridazin-3-yl]piperazin-1-yl]pyrimidin-5-yl]phenyl]-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-4-amine has a molecular weight of 1259.93 g/mol, XLogP of 8.73, 15 rotatable bonds, 1 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-chlorophenyl)-3-[3-[2-[4-[6-[4-[2-[4-[5-(4-methylpiperazin-1-yl)-6-phenylpyridazin-3-yl]piperazin-1-yl]pyrimidin-5-yl]phenyl]-5-morpholin-4-ylpyridazin-3-yl]piperazin-1-yl]pyrimidin-5-yl]phenyl]-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-4-amine is sourced from PubChem (CID 143572544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).