3-(3,4-dimethoxyphenyl)-N-[2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]ethyl]-1-phenylpyrazole-4-carboxamide

C28H26N4O4 — CID 51514887

About 3-(3,4-dimethoxyphenyl)-N-[2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]ethyl]-1-phenylpyrazole-4-carboxamide

3-(3,4-dimethoxyphenyl)-N-[2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]ethyl]-1-phenylpyrazole-4-carboxamide (PubChem CID 51514887) has the molecular formula C28H26N4O4 and a molecular weight of 482.54 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N-[2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]ethyl]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 3-(3,4-dimethoxyphenyl)-N-[2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]ethyl]-1-phenylpyrazole-4-carboxamide
• PubChem CID: 51514887
• Molecular Formula: C28H26N4O4
• Molecular Weight: 482.54 g/mol
• Exact Mass: 482.20
• IUPAC Name: 3-(3,4-dimethoxyphenyl)-N-[2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]ethyl]-1-phenylpyrazole-4-carboxamide
• SMILES: COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCC[C@H]2C(=O)Nc3ccccc32)cc1OC
• InChI: InChI=1S/C28H26N4O4/c1-35-24-13-12-18(16-25(24)36-2)26-22(17-32(31-26)19-8-4-3-5-9-19)27(33)29-15-14-21-20-10-6-7-11-23(20)30-28(21)34/h3-13,16-17,21H,14-15H2,1-2H3,(H,29,33)(H,30,34)/t21-/m1/s1
• InChIKey: KJFBYADIRWVTEA-OAQYLSRUSA-N
• XLogP: 4.41
• TPSA: 94.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.54
LogP ≤ 5	4.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N-[2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]ethyl]-1-phenylpyrazole-4-carboxamide?

The IUPAC name of 3-(3,4-dimethoxyphenyl)-N-[2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]ethyl]-1-phenylpyrazole-4-carboxamide (CID 51514887) is 3-(3,4-dimethoxyphenyl)-N-[2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]ethyl]-1-phenylpyrazole-4-carboxamide.

What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N-[2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]ethyl]-1-phenylpyrazole-4-carboxamide?

The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N-[2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]ethyl]-1-phenylpyrazole-4-carboxamide is COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCC[C@H]2C(=O)Nc3ccccc32)cc1OC.

What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N-[2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]ethyl]-1-phenylpyrazole-4-carboxamide?

The InChIKey is KJFBYADIRWVTEA-OAQYLSRUSA-N. The full InChI is InChI=1S/C28H26N4O4/c1-35-24-13-12-18(16-25(24)36-2)26-22(17-32(31-26)19-8-4-3-5-9-19)27(33)29-15-14-21-20-10-6-7-11-23(20)30-28(21)34/h3-13,16-17,21H,14-15H2,1-2H3,(H,29,33)(H,30,34)/t21-/m1/s1.

What are the key properties of 3-(3,4-dimethoxyphenyl)-N-[2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]ethyl]-1-phenylpyrazole-4-carboxamide?

3-(3,4-dimethoxyphenyl)-N-[2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]ethyl]-1-phenylpyrazole-4-carboxamide has a molecular weight of 482.54 g/mol, XLogP of 4.41, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3,4-dimethoxyphenyl)-N-[2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]ethyl]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 51514887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).