5-(2,5-dimethoxyphenyl)-N-(3,5-dimethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)pyrazolidine-3-carboxamide

C27H28N4O5 — CID 75272976

IUPAC5-(2,5-dimethoxyphenyl)-N-(3,5-dimethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)pyrazolidine-3-carboxamide
SMILESCOc1ccc(OC)c(C2CC(C(=O)Nc3ccc4c(c3)C(=O)N(C)c3cc(C)ccc3O4)NN2)c1
InChIInChI=1S/C27H28N4O5/c1-15-5-8-25-22(11-15)31(2)27(33)19-12-16(6-9-24(19)36-25)28-26(32)21-14-20(29-30-21)18-13-17(34-3)7-10-23(18)35-4/h5-13,20-21,29-30H,14H2,1-4H3,(H,28,32)
InChIKeyUUMDSYGIDPGNHP-UHFFFAOYSA-N
MW488.54 g/mol
LogP3.94
Rot. Bonds5

About 5-(2,5-dimethoxyphenyl)-N-(3,5-dimethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)pyrazolidine-3-carboxamide

5-(2,5-dimethoxyphenyl)-N-(3,5-dimethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)pyrazolidine-3-carboxamide (PubChem CID 75272976) has the molecular formula C27H28N4O5 and a molecular weight of 488.54 g/mol. Its IUPAC name is 5-(2,5-dimethoxyphenyl)-N-(3,5-dimethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)pyrazolidine-3-carboxamide.

Molecular Properties

Compound Name5-(2,5-dimethoxyphenyl)-N-(3,5-dimethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)pyrazolidine-3-carboxamide
PubChem CID75272976
Molecular FormulaC27H28N4O5
Molecular Weight488.54 g/mol
Exact Mass488.21
IUPAC Name5-(2,5-dimethoxyphenyl)-N-(3,5-dimethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)pyrazolidine-3-carboxamide
SMILESCOc1ccc(OC)c(C2CC(C(=O)Nc3ccc4c(c3)C(=O)N(C)c3cc(C)ccc3O4)NN2)c1
InChIInChI=1S/C27H28N4O5/c1-15-5-8-25-22(11-15)31(2)27(33)19-12-16(6-9-24(19)36-25)28-26(32)21-14-20(29-30-21)18-13-17(34-3)7-10-23(18)35-4/h5-13,20-21,29-30H,14H2,1-4H3,(H,28,32)
InChIKeyUUMDSYGIDPGNHP-UHFFFAOYSA-N
XLogP3.94
TPSA101.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.54
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5-(2,5-dimethoxyphenyl)-N-(3,5-dimethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)pyrazolidine-3-carboxamide 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

N-(3,5-dimethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)-3,4-dimethoxybenzamide
CID 40947820
N-(3,5-dimethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)-2-ethoxyacetamide
CID 40947814
N-(3,5-dimethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)-1-(2-methoxyphenyl)methanesulfonamide
CID 40889432
2-(3,4-dimethoxyphenyl)-N-(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)acetamide
CID 40947176
N-(3,5-dimethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)-4-methylbenzenesulfonamide
CID 16809487
2,4-dimethoxy-N-(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)benzenesulfonamide
CID 16837014
N-(3,5-dimethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)-2-(trifluoromethyl)benzamide
CID 40947791
1-bromo-N-(3,5-dimethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)methanesulfonamide
CID 40889392
5-(2,4-dimethoxyphenyl)-N-(2-methylphenyl)pyrazolidine-3-carboxamide
CID 75254961
N-(3,4-dimethoxyphenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide
CID 75975396
N-(3,5-dimethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)benzenesulfonamide
CID 40889368
5-(4-methylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrazolidine-3-carboxamide
CID 74459525

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethoxyphenyl)-N-(3,5-dimethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)pyrazolidine-3-carboxamide?
The IUPAC name of 5-(2,5-dimethoxyphenyl)-N-(3,5-dimethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)pyrazolidine-3-carboxamide (CID 75272976) is 5-(2,5-dimethoxyphenyl)-N-(3,5-dimethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)pyrazolidine-3-carboxamide.
What is the SMILES notation for 5-(2,5-dimethoxyphenyl)-N-(3,5-dimethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)pyrazolidine-3-carboxamide?
The canonical SMILES for 5-(2,5-dimethoxyphenyl)-N-(3,5-dimethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)pyrazolidine-3-carboxamide is COc1ccc(OC)c(C2CC(C(=O)Nc3ccc4c(c3)C(=O)N(C)c3cc(C)ccc3O4)NN2)c1.
What is the InChIKey of 5-(2,5-dimethoxyphenyl)-N-(3,5-dimethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)pyrazolidine-3-carboxamide?
The InChIKey is UUMDSYGIDPGNHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O5/c1-15-5-8-25-22(11-15)31(2)27(33)19-12-16(6-9-24(19)36-25)28-26(32)21-14-20(29-30-21)18-13-17(34-3)7-10-23(18)35-4/h5-13,20-21,29-30H,14H2,1-4H3,(H,28,32).
What are the key properties of 5-(2,5-dimethoxyphenyl)-N-(3,5-dimethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)pyrazolidine-3-carboxamide?
5-(2,5-dimethoxyphenyl)-N-(3,5-dimethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)pyrazolidine-3-carboxamide has a molecular weight of 488.54 g/mol, XLogP of 3.94, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethoxyphenyl)-N-(3,5-dimethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)pyrazolidine-3-carboxamide is sourced from PubChem (CID 75272976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).