N-[5-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl]methanesulfonamide

C24H23N5O5S — CID 15981243

IUPACN-[5-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc2ccc3ncc(-c4cnn(CC(=O)N5CCOCC5)c4)cc3c(=O)c2c1
InChIInChI=1S/C24H23N5O5S/c1-35(32,33)27-19-4-2-16-3-5-22-21(24(31)20(16)11-19)10-17(12-25-22)18-13-26-29(14-18)15-23(30)28-6-8-34-9-7-28/h2-5,10-14,27H,6-9,15H2,1H3
InChIKeyWSEVMWIVMLHIGE-UHFFFAOYSA-N
MW493.55 g/mol
LogP1.84
Rot. Bonds5

About N-[5-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl]methanesulfonamide

N-[5-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl]methanesulfonamide (PubChem CID 15981243) has the molecular formula C24H23N5O5S and a molecular weight of 493.55 g/mol. Its IUPAC name is N-[5-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl]methanesulfonamide
PubChem CID15981243
Molecular FormulaC24H23N5O5S
Molecular Weight493.55 g/mol
Exact Mass493.14
IUPAC NameN-[5-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc2ccc3ncc(-c4cnn(CC(=O)N5CCOCC5)c4)cc3c(=O)c2c1
InChIInChI=1S/C24H23N5O5S/c1-35(32,33)27-19-4-2-16-3-5-22-21(24(31)20(16)11-19)10-17(12-25-22)18-13-26-29(14-18)15-23(30)28-6-8-34-9-7-28/h2-5,10-14,27H,6-9,15H2,1H3
InChIKeyWSEVMWIVMLHIGE-UHFFFAOYSA-N
XLogP1.84
TPSA123.49 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.55
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[5-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl]methanesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl]methanesulfonamide?
The IUPAC name of N-[5-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl]methanesulfonamide (CID 15981243) is N-[5-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl]methanesulfonamide.
What is the SMILES notation for N-[5-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl]methanesulfonamide?
The canonical SMILES for N-[5-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl]methanesulfonamide is CS(=O)(=O)Nc1ccc2ccc3ncc(-c4cnn(CC(=O)N5CCOCC5)c4)cc3c(=O)c2c1.
What is the InChIKey of N-[5-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl]methanesulfonamide?
The InChIKey is WSEVMWIVMLHIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O5S/c1-35(32,33)27-19-4-2-16-3-5-22-21(24(31)20(16)11-19)10-17(12-25-22)18-13-26-29(14-18)15-23(30)28-6-8-34-9-7-28/h2-5,10-14,27H,6-9,15H2,1H3.
What are the key properties of N-[5-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl]methanesulfonamide?
N-[5-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl]methanesulfonamide has a molecular weight of 493.55 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl]methanesulfonamide is sourced from PubChem (CID 15981243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).