2-[1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-hydroxy-2-oxoindol-3-yl]-N-[3-[1-[4-[3-hydroxy-3-(1,3-oxazol-2-ylmethyl)-2-oxoindol-1-yl]piperidin-1-yl]-1,2-dihydroacenaphthylen-5-yl]-2-oxopropyl]acetamide

C59H56N6O7 — CID 123201209

About 2-[1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-hydroxy-2-oxoindol-3-yl]-N-[3-[1-[4-[3-hydroxy-3-(1,3-oxazol-2-ylmethyl)-2-oxoindol-1-yl]piperidin-1-yl]-1,2-dihydroacenaphthylen-5-yl]-2-oxopropyl]acetamide

2-[1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-hydroxy-2-oxoindol-3-yl]-N-[3-[1-[4-[3-hydroxy-3-(1,3-oxazol-2-ylmethyl)-2-oxoindol-1-yl]piperidin-1-yl]-1,2-dihydroacenaphthylen-5-yl]-2-oxopropyl]acetamide (PubChem CID 123201209) has the molecular formula C59H56N6O7 and a molecular weight of 961.13 g/mol. Its IUPAC name is 2-[1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-hydroxy-2-oxoindol-3-yl]-N-[3-[1-[4-[3-hydroxy-3-(1,3-oxazol-2-ylmethyl)-2-oxoindol-1-yl]piperidin-1-yl]-1,2-dihydroacenaphthylen-5-yl]-2-oxopropyl]acetamide.

Molecular Properties

• Compound Name: 2-[1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-hydroxy-2-oxoindol-3-yl]-N-[3-[1-[4-[3-hydroxy-3-(1,3-oxazol-2-ylmethyl)-2-oxoindol-1-yl]piperidin-1-yl]-1,2-dihydroacenaphthylen-5-yl]-2-oxopropyl]acetamide
• PubChem CID: 123201209
• Molecular Formula: C59H56N6O7
• Molecular Weight: 961.13 g/mol
• Exact Mass: 960.42
• IUPAC Name: 2-[1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-hydroxy-2-oxoindol-3-yl]-N-[3-[1-[4-[3-hydroxy-3-(1,3-oxazol-2-ylmethyl)-2-oxoindol-1-yl]piperidin-1-yl]-1,2-dihydroacenaphthylen-5-yl]-2-oxopropyl]acetamide
• SMILES: O=C(CNC(=O)CC1(O)C(=O)N(C2CCN(C3Cc4cccc5cccc3c45)CC2)c2ccccc21)Cc1ccc2c3c(cccc13)C(N1CCC(N3C(=O)C(O)(Cc4ncco4)c4ccccc43)CC1)C2
• InChI: InChI=1S/C59H56N6O7/c66-42(35-61-52(67)33-58(70)46-14-1-3-16-48(46)64(56(58)68)40-20-25-62(26-21-40)50-31-38-10-5-8-36-9-6-12-44(50)54(36)38)30-37-18-19-39-32-51(45-13-7-11-43(37)55(39)45)63-27-22-41(23-28-63)65-49-17-4-2-15-47(49)59(71,57(65)69)34-53-60-24-29-72-53/h1-19,24,29,40-41,50-51,70-71H,20-23,25-28,30-35H2,(H,61,67)
• InChIKey: HNYKLJZSVPJZLA-UHFFFAOYSA-N
• XLogP: 7.13
• TPSA: 159.76 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	961.13
LogP ≤ 5	7.13
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-hydroxy-2-oxoindol-3-yl]-N-[3-[1-[4-[3-hydroxy-3-(1,3-oxazol-2-ylmethyl)-2-oxoindol-1-yl]piperidin-1-yl]-1,2-dihydroacenaphthylen-5-yl]-2-oxopropyl]acetamide?

The IUPAC name of 2-[1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-hydroxy-2-oxoindol-3-yl]-N-[3-[1-[4-[3-hydroxy-3-(1,3-oxazol-2-ylmethyl)-2-oxoindol-1-yl]piperidin-1-yl]-1,2-dihydroacenaphthylen-5-yl]-2-oxopropyl]acetamide (CID 123201209) is 2-[1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-hydroxy-2-oxoindol-3-yl]-N-[3-[1-[4-[3-hydroxy-3-(1,3-oxazol-2-ylmethyl)-2-oxoindol-1-yl]piperidin-1-yl]-1,2-dihydroacenaphthylen-5-yl]-2-oxopropyl]acetamide.

What is the SMILES notation for 2-[1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-hydroxy-2-oxoindol-3-yl]-N-[3-[1-[4-[3-hydroxy-3-(1,3-oxazol-2-ylmethyl)-2-oxoindol-1-yl]piperidin-1-yl]-1,2-dihydroacenaphthylen-5-yl]-2-oxopropyl]acetamide?

The canonical SMILES for 2-[1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-hydroxy-2-oxoindol-3-yl]-N-[3-[1-[4-[3-hydroxy-3-(1,3-oxazol-2-ylmethyl)-2-oxoindol-1-yl]piperidin-1-yl]-1,2-dihydroacenaphthylen-5-yl]-2-oxopropyl]acetamide is O=C(CNC(=O)CC1(O)C(=O)N(C2CCN(C3Cc4cccc5cccc3c45)CC2)c2ccccc21)Cc1ccc2c3c(cccc13)C(N1CCC(N3C(=O)C(O)(Cc4ncco4)c4ccccc43)CC1)C2.

What is the InChIKey of 2-[1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-hydroxy-2-oxoindol-3-yl]-N-[3-[1-[4-[3-hydroxy-3-(1,3-oxazol-2-ylmethyl)-2-oxoindol-1-yl]piperidin-1-yl]-1,2-dihydroacenaphthylen-5-yl]-2-oxopropyl]acetamide?

The InChIKey is HNYKLJZSVPJZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H56N6O7/c66-42(35-61-52(67)33-58(70)46-14-1-3-16-48(46)64(56(58)68)40-20-25-62(26-21-40)50-31-38-10-5-8-36-9-6-12-44(50)54(36)38)30-37-18-19-39-32-51(45-13-7-11-43(37)55(39)45)63-27-22-41(23-28-63)65-49-17-4-2-15-47(49)59(71,57(65)69)34-53-60-24-29-72-53/h1-19,24,29,40-41,50-51,70-71H,20-23,25-28,30-35H2,(H,61,67).

What are the key properties of 2-[1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-hydroxy-2-oxoindol-3-yl]-N-[3-[1-[4-[3-hydroxy-3-(1,3-oxazol-2-ylmethyl)-2-oxoindol-1-yl]piperidin-1-yl]-1,2-dihydroacenaphthylen-5-yl]-2-oxopropyl]acetamide?

2-[1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-hydroxy-2-oxoindol-3-yl]-N-[3-[1-[4-[3-hydroxy-3-(1,3-oxazol-2-ylmethyl)-2-oxoindol-1-yl]piperidin-1-yl]-1,2-dihydroacenaphthylen-5-yl]-2-oxopropyl]acetamide has a molecular weight of 961.13 g/mol, XLogP of 7.13, 12 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-hydroxy-2-oxoindol-3-yl]-N-[3-[1-[4-[3-hydroxy-3-(1,3-oxazol-2-ylmethyl)-2-oxoindol-1-yl]piperidin-1-yl]-1,2-dihydroacenaphthylen-5-yl]-2-oxopropyl]acetamide is sourced from PubChem (CID 123201209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).