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

C41H49N11O3 — CID 143573113

IUPAC3-morpholin-4-yl-6-[4-[2-[4-(4-morpholin-4-yl-6-phenylpyridazin-3-yl)piperazin-1-yl]pyrimidin-5-yl]phenyl]-N-(2-propoxyethyl)pyridazin-4-amine
SMILESCCCOCCNc1cc(-c2ccc(-c3cnc(N4CCN(c5nnc(-c6ccccc6)cc5N5CCOCC5)CC4)nc3)cc2)nnc1N1CCOCC1
InChIInChI=1S/C41H49N11O3/c1-2-21-53-22-12-42-37-27-35(45-47-39(37)51-19-25-55-26-20-51)33-10-8-31(9-11-33)34-29-43-41(44-30-34)52-15-13-50(14-16-52)40-38(49-17-23-54-24-18-49)28-36(46-48-40)32-6-4-3-5-7-32/h3-11,27-30H,2,12-26H2,1H3,(H,42,45)
InChIKeyXZPSKGZRCKTBPA-UHFFFAOYSA-N
MW743.92 g/mol
LogP4.90
Rot. Bonds13

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

3-morpholin-4-yl-6-[4-[2-[4-(4-morpholin-4-yl-6-phenylpyridazin-3-yl)piperazin-1-yl]pyrimidin-5-yl]phenyl]-N-(2-propoxyethyl)pyridazin-4-amine (PubChem CID 143573113) has the molecular formula C41H49N11O3 and a molecular weight of 743.92 g/mol. Its IUPAC name is 3-morpholin-4-yl-6-[4-[2-[4-(4-morpholin-4-yl-6-phenylpyridazin-3-yl)piperazin-1-yl]pyrimidin-5-yl]phenyl]-N-(2-propoxyethyl)pyridazin-4-amine.

Molecular Properties

Compound Name3-morpholin-4-yl-6-[4-[2-[4-(4-morpholin-4-yl-6-phenylpyridazin-3-yl)piperazin-1-yl]pyrimidin-5-yl]phenyl]-N-(2-propoxyethyl)pyridazin-4-amine
PubChem CID143573113
Molecular FormulaC41H49N11O3
Molecular Weight743.92 g/mol
Exact Mass743.40
IUPAC Name3-morpholin-4-yl-6-[4-[2-[4-(4-morpholin-4-yl-6-phenylpyridazin-3-yl)piperazin-1-yl]pyrimidin-5-yl]phenyl]-N-(2-propoxyethyl)pyridazin-4-amine
SMILESCCCOCCNc1cc(-c2ccc(-c3cnc(N4CCN(c5nnc(-c6ccccc6)cc5N5CCOCC5)CC4)nc3)cc2)nnc1N1CCOCC1
InChIInChI=1S/C41H49N11O3/c1-2-21-53-22-12-42-37-27-35(45-47-39(37)51-19-25-55-26-20-51)33-10-8-31(9-11-33)34-29-43-41(44-30-34)52-15-13-50(14-16-52)40-38(49-17-23-54-24-18-49)28-36(46-48-40)32-6-4-3-5-7-32/h3-11,27-30H,2,12-26H2,1H3,(H,42,45)
InChIKeyXZPSKGZRCKTBPA-UHFFFAOYSA-N
XLogP4.90
TPSA130.02 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds13
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.92
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-6-[4-[2-[4-(4-morpholin-4-yl-6-phenylpyridazin-3-yl)piperazin-1-yl]pyrimidin-5-yl]phenyl]-N-(2-propoxyethyl)pyridazin-4-amine?
The IUPAC name of 3-morpholin-4-yl-6-[4-[2-[4-(4-morpholin-4-yl-6-phenylpyridazin-3-yl)piperazin-1-yl]pyrimidin-5-yl]phenyl]-N-(2-propoxyethyl)pyridazin-4-amine (CID 143573113) is 3-morpholin-4-yl-6-[4-[2-[4-(4-morpholin-4-yl-6-phenylpyridazin-3-yl)piperazin-1-yl]pyrimidin-5-yl]phenyl]-N-(2-propoxyethyl)pyridazin-4-amine.
What is the SMILES notation for 3-morpholin-4-yl-6-[4-[2-[4-(4-morpholin-4-yl-6-phenylpyridazin-3-yl)piperazin-1-yl]pyrimidin-5-yl]phenyl]-N-(2-propoxyethyl)pyridazin-4-amine?
The canonical SMILES for 3-morpholin-4-yl-6-[4-[2-[4-(4-morpholin-4-yl-6-phenylpyridazin-3-yl)piperazin-1-yl]pyrimidin-5-yl]phenyl]-N-(2-propoxyethyl)pyridazin-4-amine is CCCOCCNc1cc(-c2ccc(-c3cnc(N4CCN(c5nnc(-c6ccccc6)cc5N5CCOCC5)CC4)nc3)cc2)nnc1N1CCOCC1.
What is the InChIKey of 3-morpholin-4-yl-6-[4-[2-[4-(4-morpholin-4-yl-6-phenylpyridazin-3-yl)piperazin-1-yl]pyrimidin-5-yl]phenyl]-N-(2-propoxyethyl)pyridazin-4-amine?
The InChIKey is XZPSKGZRCKTBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H49N11O3/c1-2-21-53-22-12-42-37-27-35(45-47-39(37)51-19-25-55-26-20-51)33-10-8-31(9-11-33)34-29-43-41(44-30-34)52-15-13-50(14-16-52)40-38(49-17-23-54-24-18-49)28-36(46-48-40)32-6-4-3-5-7-32/h3-11,27-30H,2,12-26H2,1H3,(H,42,45).
What are the key properties of 3-morpholin-4-yl-6-[4-[2-[4-(4-morpholin-4-yl-6-phenylpyridazin-3-yl)piperazin-1-yl]pyrimidin-5-yl]phenyl]-N-(2-propoxyethyl)pyridazin-4-amine?
3-morpholin-4-yl-6-[4-[2-[4-(4-morpholin-4-yl-6-phenylpyridazin-3-yl)piperazin-1-yl]pyrimidin-5-yl]phenyl]-N-(2-propoxyethyl)pyridazin-4-amine has a molecular weight of 743.92 g/mol, XLogP of 4.90, 13 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-6-[4-[2-[4-(4-morpholin-4-yl-6-phenylpyridazin-3-yl)piperazin-1-yl]pyrimidin-5-yl]phenyl]-N-(2-propoxyethyl)pyridazin-4-amine is sourced from PubChem (CID 143573113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).