7-methoxy-8-(2-methylprop-1-enyl)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1-thiophen-3-yl-3,4-dihydro-2H-chromeno[4,3-c]pyrazole-3-carboxamide

C25H28N4O5S — CID 155263653

About 7-methoxy-8-(2-methylprop-1-enyl)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1-thiophen-3-yl-3,4-dihydro-2H-chromeno[4,3-c]pyrazole-3-carboxamide

7-methoxy-8-(2-methylprop-1-enyl)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1-thiophen-3-yl-3,4-dihydro-2H-chromeno[4,3-c]pyrazole-3-carboxamide (PubChem CID 155263653) has the molecular formula C25H28N4O5S and a molecular weight of 496.59 g/mol. Its IUPAC name is 7-methoxy-8-(2-methylprop-1-enyl)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1-thiophen-3-yl-3,4-dihydro-2H-chromeno[4,3-c]pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 7-methoxy-8-(2-methylprop-1-enyl)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1-thiophen-3-yl-3,4-dihydro-2H-chromeno[4,3-c]pyrazole-3-carboxamide
• PubChem CID: 155263653
• Molecular Formula: C25H28N4O5S
• Molecular Weight: 496.59 g/mol
• Exact Mass: 496.18
• IUPAC Name: 7-methoxy-8-(2-methylprop-1-enyl)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1-thiophen-3-yl-3,4-dihydro-2H-chromeno[4,3-c]pyrazole-3-carboxamide
• SMILES: COc1cc2c(cc1C=C(C)C)C1=C(CO2)C(C(=O)NCCN2CCOC2=O)NN1c1ccsc1
• InChI: InChI=1S/C25H28N4O5S/c1-15(2)10-16-11-18-21(12-20(16)32-3)34-13-19-22(27-29(23(18)19)17-4-9-35-14-17)24(30)26-5-6-28-7-8-33-25(28)31/h4,9-12,14,22,27H,5-8,13H2,1-3H3,(H,26,30)
• InChIKey: BRZASXBYIZHNHK-UHFFFAOYSA-N
• XLogP: 3.25
• TPSA: 92.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	496.59
LogP ≤ 5	3.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-8-(2-methylprop-1-enyl)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1-thiophen-3-yl-3,4-dihydro-2H-chromeno[4,3-c]pyrazole-3-carboxamide?

The IUPAC name of 7-methoxy-8-(2-methylprop-1-enyl)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1-thiophen-3-yl-3,4-dihydro-2H-chromeno[4,3-c]pyrazole-3-carboxamide (CID 155263653) is 7-methoxy-8-(2-methylprop-1-enyl)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1-thiophen-3-yl-3,4-dihydro-2H-chromeno[4,3-c]pyrazole-3-carboxamide.

What is the SMILES notation for 7-methoxy-8-(2-methylprop-1-enyl)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1-thiophen-3-yl-3,4-dihydro-2H-chromeno[4,3-c]pyrazole-3-carboxamide?

The canonical SMILES for 7-methoxy-8-(2-methylprop-1-enyl)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1-thiophen-3-yl-3,4-dihydro-2H-chromeno[4,3-c]pyrazole-3-carboxamide is COc1cc2c(cc1C=C(C)C)C1=C(CO2)C(C(=O)NCCN2CCOC2=O)NN1c1ccsc1.

What is the InChIKey of 7-methoxy-8-(2-methylprop-1-enyl)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1-thiophen-3-yl-3,4-dihydro-2H-chromeno[4,3-c]pyrazole-3-carboxamide?

The InChIKey is BRZASXBYIZHNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O5S/c1-15(2)10-16-11-18-21(12-20(16)32-3)34-13-19-22(27-29(23(18)19)17-4-9-35-14-17)24(30)26-5-6-28-7-8-33-25(28)31/h4,9-12,14,22,27H,5-8,13H2,1-3H3,(H,26,30).

What are the key properties of 7-methoxy-8-(2-methylprop-1-enyl)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1-thiophen-3-yl-3,4-dihydro-2H-chromeno[4,3-c]pyrazole-3-carboxamide?

7-methoxy-8-(2-methylprop-1-enyl)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1-thiophen-3-yl-3,4-dihydro-2H-chromeno[4,3-c]pyrazole-3-carboxamide has a molecular weight of 496.59 g/mol, XLogP of 3.25, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-methoxy-8-(2-methylprop-1-enyl)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1-thiophen-3-yl-3,4-dihydro-2H-chromeno[4,3-c]pyrazole-3-carboxamide is sourced from PubChem (CID 155263653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).