1-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one

C24H33N5O5 — CID 5308484

IUPAC1-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one
SMILESCOc1cc(CCC(=O)N2CCN(c3ccc(N4CCOCC4)nn3)CC2)cc(OC)c1OC
InChIInChI=1S/C24H33N5O5/c1-31-19-16-18(17-20(32-2)24(19)33-3)4-7-23(30)29-10-8-27(9-11-29)21-5-6-22(26-25-21)28-12-14-34-15-13-28/h5-6,16-17H,4,7-15H2,1-3H3
InChIKeyYHBLBIKNLLTWOU-UHFFFAOYSA-N
MW471.56 g/mol
LogP1.62
Rot. Bonds8

About 1-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one

1-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one (PubChem CID 5308484) has the molecular formula C24H33N5O5 and a molecular weight of 471.56 g/mol. Its IUPAC name is 1-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one.

Molecular Properties

Compound Name1-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one
PubChem CID5308484
Molecular FormulaC24H33N5O5
Molecular Weight471.56 g/mol
Exact Mass471.25
IUPAC Name1-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one
SMILESCOc1cc(CCC(=O)N2CCN(c3ccc(N4CCOCC4)nn3)CC2)cc(OC)c1OC
InChIInChI=1S/C24H33N5O5/c1-31-19-16-18(17-20(32-2)24(19)33-3)4-7-23(30)29-10-8-27(9-11-29)21-5-6-22(26-25-21)28-12-14-34-15-13-28/h5-6,16-17H,4,7-15H2,1-3H3
InChIKeyYHBLBIKNLLTWOU-UHFFFAOYSA-N
XLogP1.62
TPSA89.49 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.56
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one?
The IUPAC name of 1-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one (CID 5308484) is 1-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one.
What is the SMILES notation for 1-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one?
The canonical SMILES for 1-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one is COc1cc(CCC(=O)N2CCN(c3ccc(N4CCOCC4)nn3)CC2)cc(OC)c1OC.
What is the InChIKey of 1-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one?
The InChIKey is YHBLBIKNLLTWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O5/c1-31-19-16-18(17-20(32-2)24(19)33-3)4-7-23(30)29-10-8-27(9-11-29)21-5-6-22(26-25-21)28-12-14-34-15-13-28/h5-6,16-17H,4,7-15H2,1-3H3.
What are the key properties of 1-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one?
1-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one has a molecular weight of 471.56 g/mol, XLogP of 1.62, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one is sourced from PubChem (CID 5308484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).