4-[2-[4-[14-(dimethylsulfamoylamino)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-5-yl]pyrazol-1-yl]acetyl]morpholine

C25H26N6O5S — CID 53310546

IUPAC4-[2-[4-[14-(dimethylsulfamoylamino)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-5-yl]pyrazol-1-yl]acetyl]morpholine
SMILESCN(C)S(=O)(=O)Nc1ccc2ccc3ncc(-c4cnn(CC(=O)N5CCOCC5)c4)cc3c(=O)c2c1
InChIInChI=1S/C25H26N6O5S/c1-29(2)37(34,35)28-20-5-3-17-4-6-23-22(25(33)21(17)12-20)11-18(13-26-23)19-14-27-31(15-19)16-24(32)30-7-9-36-10-8-30/h3-6,11-15,28H,7-10,16H2,1-2H3
InChIKeyAQADDFKTCUJWGY-UHFFFAOYSA-N
MW522.59 g/mol
LogP1.69
Rot. Bonds6

About 4-[2-[4-[14-(dimethylsulfamoylamino)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-5-yl]pyrazol-1-yl]acetyl]morpholine

4-[2-[4-[14-(dimethylsulfamoylamino)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-5-yl]pyrazol-1-yl]acetyl]morpholine (PubChem CID 53310546) has the molecular formula C25H26N6O5S and a molecular weight of 522.59 g/mol. Its IUPAC name is 4-[2-[4-[14-(dimethylsulfamoylamino)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-5-yl]pyrazol-1-yl]acetyl]morpholine.

Molecular Properties

Compound Name4-[2-[4-[14-(dimethylsulfamoylamino)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-5-yl]pyrazol-1-yl]acetyl]morpholine
PubChem CID53310546
Molecular FormulaC25H26N6O5S
Molecular Weight522.59 g/mol
Exact Mass522.17
IUPAC Name4-[2-[4-[14-(dimethylsulfamoylamino)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-5-yl]pyrazol-1-yl]acetyl]morpholine
SMILESCN(C)S(=O)(=O)Nc1ccc2ccc3ncc(-c4cnn(CC(=O)N5CCOCC5)c4)cc3c(=O)c2c1
InChIInChI=1S/C25H26N6O5S/c1-29(2)37(34,35)28-20-5-3-17-4-6-23-22(25(33)21(17)12-20)11-18(13-26-23)19-14-27-31(15-19)16-24(32)30-7-9-36-10-8-30/h3-6,11-15,28H,7-10,16H2,1-2H3
InChIKeyAQADDFKTCUJWGY-UHFFFAOYSA-N
XLogP1.69
TPSA126.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.59
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

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
14-(dimethylsulfamoylamino)-2-oxo-5-(1-propylpyrazol-4-yl)-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene
CID 53310545
N-[5-[1-(3-hydroxypropyl)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 15981345
2-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]-1-morpholin-4-ylethanone
CID 90288987
sodium;14-[[[(2R)-1,4-dioxan-2-yl]methyl-methylsulfamoyl]amino]-5-(1-methylpyrazol-4-yl)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene;hydride
CID 173035496
13-[[[(2R)-1,4-dioxan-2-yl]methyl-methylsulfamoyl]amino]-5-(1-methylpyrazol-4-yl)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene
CID 54585111
1-morpholin-4-yl-2-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethanone
CID 118504159
N-[5-(2,4-dichlorophenyl)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl]methanesulfonamide
CID 15981176
1-morpholin-4-yl-2-[4-[2-[3-(1,3-oxazol-5-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]ethanone
CID 72944864
14-(methylsulfanylamino)-5-(2-morpholin-4-ylethylamino)-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-2-one
CID 143383530
[3-(dimethylsulfamoylamino)phenyl] morpholine-4-carboxylate
CID 27243445
1-[5-(1-methylpyrazol-4-yl)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl]-N-(1,3-thiazol-5-ylmethyl)methanesulfonamide
CID 25011895

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[14-(dimethylsulfamoylamino)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-5-yl]pyrazol-1-yl]acetyl]morpholine?
The IUPAC name of 4-[2-[4-[14-(dimethylsulfamoylamino)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-5-yl]pyrazol-1-yl]acetyl]morpholine (CID 53310546) is 4-[2-[4-[14-(dimethylsulfamoylamino)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-5-yl]pyrazol-1-yl]acetyl]morpholine.
What is the SMILES notation for 4-[2-[4-[14-(dimethylsulfamoylamino)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-5-yl]pyrazol-1-yl]acetyl]morpholine?
The canonical SMILES for 4-[2-[4-[14-(dimethylsulfamoylamino)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-5-yl]pyrazol-1-yl]acetyl]morpholine is CN(C)S(=O)(=O)Nc1ccc2ccc3ncc(-c4cnn(CC(=O)N5CCOCC5)c4)cc3c(=O)c2c1.
What is the InChIKey of 4-[2-[4-[14-(dimethylsulfamoylamino)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-5-yl]pyrazol-1-yl]acetyl]morpholine?
The InChIKey is AQADDFKTCUJWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O5S/c1-29(2)37(34,35)28-20-5-3-17-4-6-23-22(25(33)21(17)12-20)11-18(13-26-23)19-14-27-31(15-19)16-24(32)30-7-9-36-10-8-30/h3-6,11-15,28H,7-10,16H2,1-2H3.
What are the key properties of 4-[2-[4-[14-(dimethylsulfamoylamino)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-5-yl]pyrazol-1-yl]acetyl]morpholine?
4-[2-[4-[14-(dimethylsulfamoylamino)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-5-yl]pyrazol-1-yl]acetyl]morpholine has a molecular weight of 522.59 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[14-(dimethylsulfamoylamino)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-5-yl]pyrazol-1-yl]acetyl]morpholine is sourced from PubChem (CID 53310546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).