5-(2,5-dimethoxyphenyl)-7-methoxy-2-thiophen-2-yl-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine

C23H22N2O4S — CID 4152524

IUPAC5-(2,5-dimethoxyphenyl)-7-methoxy-2-thiophen-2-yl-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine
SMILESCOc1ccc(OC)c(C2Oc3c(OC)cccc3C3C=C(c4cccs4)NN32)c1
InChIInChI=1S/C23H22N2O4S/c1-26-14-9-10-19(27-2)16(12-14)23-25-18(13-17(24-25)21-8-5-11-30-21)15-6-4-7-20(28-3)22(15)29-23/h4-13,18,23-24H,1-3H3
InChIKeyRNHMEMVTKZVAAS-UHFFFAOYSA-N
MW422.51 g/mol
LogP4.77
Rot. Bonds5

About 5-(2,5-dimethoxyphenyl)-7-methoxy-2-thiophen-2-yl-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine

5-(2,5-dimethoxyphenyl)-7-methoxy-2-thiophen-2-yl-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine (PubChem CID 4152524) has the molecular formula C23H22N2O4S and a molecular weight of 422.51 g/mol. Its IUPAC name is 5-(2,5-dimethoxyphenyl)-7-methoxy-2-thiophen-2-yl-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine.

Molecular Properties

Compound Name5-(2,5-dimethoxyphenyl)-7-methoxy-2-thiophen-2-yl-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine
PubChem CID4152524
Molecular FormulaC23H22N2O4S
Molecular Weight422.51 g/mol
Exact Mass422.13
IUPAC Name5-(2,5-dimethoxyphenyl)-7-methoxy-2-thiophen-2-yl-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine
SMILESCOc1ccc(OC)c(C2Oc3c(OC)cccc3C3C=C(c4cccs4)NN32)c1
InChIInChI=1S/C23H22N2O4S/c1-26-14-9-10-19(27-2)16(12-14)23-25-18(13-17(24-25)21-8-5-11-30-21)15-6-4-7-20(28-3)22(15)29-23/h4-13,18,23-24H,1-3H3
InChIKeyRNHMEMVTKZVAAS-UHFFFAOYSA-N
XLogP4.77
TPSA52.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-(2,5-dimethoxyphenyl)-7-methoxy-2-thiophen-2-yl-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

(5R,10bS)-5-(2,5-dimethoxyphenyl)-7-methoxy-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 42456761
7-methoxy-2-(4-methoxyphenyl)-5-phenyl-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine
CID 4564985
2-(4-ethoxyphenyl)-7-methoxy-5-(3-methoxyphenyl)-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine
CID 4152409
(5R,10bR)-5-(2-ethoxyphenyl)-2-thiophen-2-yl-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine
CID 2147821
5-(3-chlorophenyl)-2-(furan-2-yl)-7-methoxy-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine
CID 4147479
5-(3-fluorophenyl)-7-methoxy-2-(5-methylfuran-2-yl)-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine
CID 4088501
5-(3,4-dimethoxyphenyl)-7-ethoxy-2-(4-fluorophenyl)-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine
CID 4147372
7-ethoxy-2-(3-methoxyphenyl)-5-(4-methylsulfanylphenyl)-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine
CID 5191016
5-(3,4-difluorophenyl)-7-ethoxy-2-(3-methoxyphenyl)-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine
CID 5191018
1'-benzyl-7-methoxy-2-thiophen-2-ylspiro[3,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidin-1-ium]
CID 4135235
2-[5-(2,5-dimethoxyphenyl)-7-methoxy-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl]phenol
CID 135686146
2-[(5S,10bR)-5-(2,5-dimethoxyphenyl)-7-methoxy-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl]-4-methylphenol
CID 136878070

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethoxyphenyl)-7-methoxy-2-thiophen-2-yl-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine?
The IUPAC name of 5-(2,5-dimethoxyphenyl)-7-methoxy-2-thiophen-2-yl-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine (CID 4152524) is 5-(2,5-dimethoxyphenyl)-7-methoxy-2-thiophen-2-yl-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine.
What is the SMILES notation for 5-(2,5-dimethoxyphenyl)-7-methoxy-2-thiophen-2-yl-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine?
The canonical SMILES for 5-(2,5-dimethoxyphenyl)-7-methoxy-2-thiophen-2-yl-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine is COc1ccc(OC)c(C2Oc3c(OC)cccc3C3C=C(c4cccs4)NN32)c1.
What is the InChIKey of 5-(2,5-dimethoxyphenyl)-7-methoxy-2-thiophen-2-yl-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine?
The InChIKey is RNHMEMVTKZVAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4S/c1-26-14-9-10-19(27-2)16(12-14)23-25-18(13-17(24-25)21-8-5-11-30-21)15-6-4-7-20(28-3)22(15)29-23/h4-13,18,23-24H,1-3H3.
What are the key properties of 5-(2,5-dimethoxyphenyl)-7-methoxy-2-thiophen-2-yl-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine?
5-(2,5-dimethoxyphenyl)-7-methoxy-2-thiophen-2-yl-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine has a molecular weight of 422.51 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethoxyphenyl)-7-methoxy-2-thiophen-2-yl-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine is sourced from PubChem (CID 4152524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).