9-methoxy-2-(4-methoxyphenyl)-5-(4-methylsulfanylphenyl)-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine

C25H24N2O3S — CID 4161244

IUPAC9-methoxy-2-(4-methoxyphenyl)-5-(4-methylsulfanylphenyl)-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine
SMILESCOc1ccc(C2=CC3c4cc(OC)ccc4OC(c4ccc(SC)cc4)N3N2)cc1
InChIInChI=1S/C25H24N2O3S/c1-28-18-8-4-16(5-9-18)22-15-23-21-14-19(29-2)10-13-24(21)30-25(27(23)26-22)17-6-11-20(31-3)12-7-17/h4-15,23,25-26H,1-3H3
InChIKeyPCIMSPAAZRNTES-UHFFFAOYSA-N
MW432.55 g/mol
LogP5.42
Rot. Bonds5

About 9-methoxy-2-(4-methoxyphenyl)-5-(4-methylsulfanylphenyl)-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine

9-methoxy-2-(4-methoxyphenyl)-5-(4-methylsulfanylphenyl)-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine (PubChem CID 4161244) has the molecular formula C25H24N2O3S and a molecular weight of 432.55 g/mol. Its IUPAC name is 9-methoxy-2-(4-methoxyphenyl)-5-(4-methylsulfanylphenyl)-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine.

Molecular Properties

Compound Name9-methoxy-2-(4-methoxyphenyl)-5-(4-methylsulfanylphenyl)-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine
PubChem CID4161244
Molecular FormulaC25H24N2O3S
Molecular Weight432.55 g/mol
Exact Mass432.15
IUPAC Name9-methoxy-2-(4-methoxyphenyl)-5-(4-methylsulfanylphenyl)-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine
SMILESCOc1ccc(C2=CC3c4cc(OC)ccc4OC(c4ccc(SC)cc4)N3N2)cc1
InChIInChI=1S/C25H24N2O3S/c1-28-18-8-4-16(5-9-18)22-15-23-21-14-19(29-2)10-13-24(21)30-25(27(23)26-22)17-6-11-20(31-3)12-7-17/h4-15,23,25-26H,1-3H3
InChIKeyPCIMSPAAZRNTES-UHFFFAOYSA-N
XLogP5.42
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.55
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 9-methoxy-2-(4-methoxyphenyl)-5-(4-methylsulfanylphenyl)-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine with MolForge

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

Launch Full Analysis

Related Compounds

7-ethoxy-2-(3-methoxyphenyl)-5-(4-methylsulfanylphenyl)-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine
CID 5191016
7-methoxy-2-(4-methoxyphenyl)-5-phenyl-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine
CID 4564985
(5S,10bR)-2-(4-chlorophenyl)-5-(3-methoxyphenyl)-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine
CID 2003965
9-chloro-2-(4-ethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine
CID 5101526
2-(4-ethoxyphenyl)-7-methoxy-5-(3-methoxyphenyl)-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine
CID 4152409
2,5-diphenyl-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine
CID 53449506
2-(4-methoxyphenyl)-5-(4-methylsulfanylphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 3798044
5-(4-butoxyphenyl)-9-chloro-2-(furan-2-yl)-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine
CID 4622070
5-(3,4-dimethoxyphenyl)-7-ethoxy-2-(4-fluorophenyl)-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine
CID 4147372
5-(3,4-difluorophenyl)-7-ethoxy-2-(3-methoxyphenyl)-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine
CID 5191018
(5S,10bR)-9-chloro-2-(3-methoxyphenyl)-5-(4-methylsulfanylphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 98424399
(5S,10bS)-9-bromo-2-(3-methoxyphenyl)-5-(4-methylsulfanylphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 98356758

Frequently Asked Questions

What is the IUPAC name of 9-methoxy-2-(4-methoxyphenyl)-5-(4-methylsulfanylphenyl)-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine?
The IUPAC name of 9-methoxy-2-(4-methoxyphenyl)-5-(4-methylsulfanylphenyl)-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine (CID 4161244) is 9-methoxy-2-(4-methoxyphenyl)-5-(4-methylsulfanylphenyl)-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine.
What is the SMILES notation for 9-methoxy-2-(4-methoxyphenyl)-5-(4-methylsulfanylphenyl)-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine?
The canonical SMILES for 9-methoxy-2-(4-methoxyphenyl)-5-(4-methylsulfanylphenyl)-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine is COc1ccc(C2=CC3c4cc(OC)ccc4OC(c4ccc(SC)cc4)N3N2)cc1.
What is the InChIKey of 9-methoxy-2-(4-methoxyphenyl)-5-(4-methylsulfanylphenyl)-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine?
The InChIKey is PCIMSPAAZRNTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3S/c1-28-18-8-4-16(5-9-18)22-15-23-21-14-19(29-2)10-13-24(21)30-25(27(23)26-22)17-6-11-20(31-3)12-7-17/h4-15,23,25-26H,1-3H3.
What are the key properties of 9-methoxy-2-(4-methoxyphenyl)-5-(4-methylsulfanylphenyl)-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine?
9-methoxy-2-(4-methoxyphenyl)-5-(4-methylsulfanylphenyl)-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine has a molecular weight of 432.55 g/mol, XLogP of 5.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-2-(4-methoxyphenyl)-5-(4-methylsulfanylphenyl)-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine is sourced from PubChem (CID 4161244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).