4-(2,7-dimethyl-3,5-diphenyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]diazaphosphinin-1-yl)morpholine

C22H24N5OPS — CID 2322845

IUPAC4-(2,7-dimethyl-3,5-diphenyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]diazaphosphinin-1-yl)morpholine
SMILESCc1nn(-c2ccccc2)c2c1P(=S)(N1CCOCC1)N(C)C(c1ccccc1)=N2
InChIInChI=1S/C22H24N5OPS/c1-17-20-22(27(24-17)19-11-7-4-8-12-19)23-21(18-9-5-3-6-10-18)25(2)29(20,30)26-13-15-28-16-14-26/h3-12H,13-16H2,1-2H3
InChIKeyUBEAGBMCQGLCOO-UHFFFAOYSA-N
MW437.51 g/mol
LogP3.47
Rot. Bonds3

About 4-(2,7-dimethyl-3,5-diphenyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]diazaphosphinin-1-yl)morpholine

4-(2,7-dimethyl-3,5-diphenyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]diazaphosphinin-1-yl)morpholine (PubChem CID 2322845) has the molecular formula C22H24N5OPS and a molecular weight of 437.51 g/mol. Its IUPAC name is 4-(2,7-dimethyl-3,5-diphenyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]diazaphosphinin-1-yl)morpholine.

Molecular Properties

Compound Name4-(2,7-dimethyl-3,5-diphenyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]diazaphosphinin-1-yl)morpholine
PubChem CID2322845
Molecular FormulaC22H24N5OPS
Molecular Weight437.51 g/mol
Exact Mass437.14
IUPAC Name4-(2,7-dimethyl-3,5-diphenyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]diazaphosphinin-1-yl)morpholine
SMILESCc1nn(-c2ccccc2)c2c1P(=S)(N1CCOCC1)N(C)C(c1ccccc1)=N2
InChIInChI=1S/C22H24N5OPS/c1-17-20-22(27(24-17)19-11-7-4-8-12-19)23-21(18-9-5-3-6-10-18)25(2)29(20,30)26-13-15-28-16-14-26/h3-12H,13-16H2,1-2H3
InChIKeyUBEAGBMCQGLCOO-UHFFFAOYSA-N
XLogP3.47
TPSA45.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.51
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(2,7-dimethyl-3,5-diphenyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]diazaphosphinin-1-yl)morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2,7-dimethyl-3,5-diphenyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]diazaphosphinin-1-yl)morpholine?
The IUPAC name of 4-(2,7-dimethyl-3,5-diphenyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]diazaphosphinin-1-yl)morpholine (CID 2322845) is 4-(2,7-dimethyl-3,5-diphenyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]diazaphosphinin-1-yl)morpholine.
What is the SMILES notation for 4-(2,7-dimethyl-3,5-diphenyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]diazaphosphinin-1-yl)morpholine?
The canonical SMILES for 4-(2,7-dimethyl-3,5-diphenyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]diazaphosphinin-1-yl)morpholine is Cc1nn(-c2ccccc2)c2c1P(=S)(N1CCOCC1)N(C)C(c1ccccc1)=N2.
What is the InChIKey of 4-(2,7-dimethyl-3,5-diphenyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]diazaphosphinin-1-yl)morpholine?
The InChIKey is UBEAGBMCQGLCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N5OPS/c1-17-20-22(27(24-17)19-11-7-4-8-12-19)23-21(18-9-5-3-6-10-18)25(2)29(20,30)26-13-15-28-16-14-26/h3-12H,13-16H2,1-2H3.
What are the key properties of 4-(2,7-dimethyl-3,5-diphenyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]diazaphosphinin-1-yl)morpholine?
4-(2,7-dimethyl-3,5-diphenyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]diazaphosphinin-1-yl)morpholine has a molecular weight of 437.51 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,7-dimethyl-3,5-diphenyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]diazaphosphinin-1-yl)morpholine is sourced from PubChem (CID 2322845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).