5-(4-benzylsulfonylpiperazin-1-yl)-4-morpholin-4-yl-2-phenylpyridazin-3-one

C25H29N5O4S — CID 53324961

IUPAC5-(4-benzylsulfonylpiperazin-1-yl)-4-morpholin-4-yl-2-phenylpyridazin-3-one
SMILESO=c1c(N2CCOCC2)c(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)cnn1-c1ccccc1
InChIInChI=1S/C25H29N5O4S/c31-25-24(28-15-17-34-18-16-28)23(19-26-30(25)22-9-5-2-6-10-22)27-11-13-29(14-12-27)35(32,33)20-21-7-3-1-4-8-21/h1-10,19H,11-18,20H2
InChIKeyPZXJUKQCRGDEMC-UHFFFAOYSA-N
MW495.61 g/mol
LogP1.72
Rot. Bonds6

About 5-(4-benzylsulfonylpiperazin-1-yl)-4-morpholin-4-yl-2-phenylpyridazin-3-one

5-(4-benzylsulfonylpiperazin-1-yl)-4-morpholin-4-yl-2-phenylpyridazin-3-one (PubChem CID 53324961) has the molecular formula C25H29N5O4S and a molecular weight of 495.61 g/mol. Its IUPAC name is 5-(4-benzylsulfonylpiperazin-1-yl)-4-morpholin-4-yl-2-phenylpyridazin-3-one.

Molecular Properties

Compound Name5-(4-benzylsulfonylpiperazin-1-yl)-4-morpholin-4-yl-2-phenylpyridazin-3-one
PubChem CID53324961
Molecular FormulaC25H29N5O4S
Molecular Weight495.61 g/mol
Exact Mass495.19
IUPAC Name5-(4-benzylsulfonylpiperazin-1-yl)-4-morpholin-4-yl-2-phenylpyridazin-3-one
SMILESO=c1c(N2CCOCC2)c(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)cnn1-c1ccccc1
InChIInChI=1S/C25H29N5O4S/c31-25-24(28-15-17-34-18-16-28)23(19-26-30(25)22-9-5-2-6-10-22)27-11-13-29(14-12-27)35(32,33)20-21-7-3-1-4-8-21/h1-10,19H,11-18,20H2
InChIKeyPZXJUKQCRGDEMC-UHFFFAOYSA-N
XLogP1.72
TPSA87.98 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.61
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(4-benzylsulfonylpiperazin-1-yl)-4-morpholin-4-yl-2-phenylpyridazin-3-one?
The IUPAC name of 5-(4-benzylsulfonylpiperazin-1-yl)-4-morpholin-4-yl-2-phenylpyridazin-3-one (CID 53324961) is 5-(4-benzylsulfonylpiperazin-1-yl)-4-morpholin-4-yl-2-phenylpyridazin-3-one.
What is the SMILES notation for 5-(4-benzylsulfonylpiperazin-1-yl)-4-morpholin-4-yl-2-phenylpyridazin-3-one?
The canonical SMILES for 5-(4-benzylsulfonylpiperazin-1-yl)-4-morpholin-4-yl-2-phenylpyridazin-3-one is O=c1c(N2CCOCC2)c(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)cnn1-c1ccccc1.
What is the InChIKey of 5-(4-benzylsulfonylpiperazin-1-yl)-4-morpholin-4-yl-2-phenylpyridazin-3-one?
The InChIKey is PZXJUKQCRGDEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O4S/c31-25-24(28-15-17-34-18-16-28)23(19-26-30(25)22-9-5-2-6-10-22)27-11-13-29(14-12-27)35(32,33)20-21-7-3-1-4-8-21/h1-10,19H,11-18,20H2.
What are the key properties of 5-(4-benzylsulfonylpiperazin-1-yl)-4-morpholin-4-yl-2-phenylpyridazin-3-one?
5-(4-benzylsulfonylpiperazin-1-yl)-4-morpholin-4-yl-2-phenylpyridazin-3-one has a molecular weight of 495.61 g/mol, XLogP of 1.72, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-benzylsulfonylpiperazin-1-yl)-4-morpholin-4-yl-2-phenylpyridazin-3-one is sourced from PubChem (CID 53324961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).