(10S)-N-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]-4-(2-hydroxyphenyl)-1,5,6,8,12-pentazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene-12-carboxamide

C40H46N10O6 — CID 163294020

About (10S)-N-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]-4-(2-hydroxyphenyl)-1,5,6,8,12-pentazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene-12-carboxamide

(10S)-N-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]-4-(2-hydroxyphenyl)-1,5,6,8,12-pentazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene-12-carboxamide (PubChem CID 163294020) has the molecular formula C40H46N10O6 and a molecular weight of 762.87 g/mol. Its IUPAC name is (10S)-N-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]-4-(2-hydroxyphenyl)-1,5,6,8,12-pentazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene-12-carboxamide.

Molecular Properties

• Compound Name: (10S)-N-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]-4-(2-hydroxyphenyl)-1,5,6,8,12-pentazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene-12-carboxamide
• PubChem CID: 163294020
• Molecular Formula: C40H46N10O6
• Molecular Weight: 762.87 g/mol
• Exact Mass: 762.36
• IUPAC Name: (10S)-N-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]-4-(2-hydroxyphenyl)-1,5,6,8,12-pentazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene-12-carboxamide
• SMILES: O=C1CCC(N2C(=O)c3ccc(N4CCC(CN5CCC(NC(=O)N6CCN7c8cc(-c9ccccc9O)nnc8NC[C@H]7C6)CC5)CC4)cc3C2=O)C(=O)N1
• InChI: InChI=1S/C40H46N10O6/c51-34-4-2-1-3-29(34)31-20-33-36(45-44-31)41-21-27-23-48(17-18-49(27)33)40(56)42-25-11-13-46(14-12-25)22-24-9-15-47(16-10-24)26-5-6-28-30(19-26)39(55)50(38(28)54)32-7-8-35(52)43-37(32)53/h1-6,19-20,24-25,27,32,51H,7-18,21-23H2,(H,41,45)(H,42,56)(H,43,52,53)/t27-,32?/m0/s1
• InChIKey: GXXQPWZFMGPBGA-BSXJZHEVSA-N
• XLogP: 2.26
• TPSA: 183.65 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 6
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	762.87
LogP ≤ 5	2.26
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (10S)-N-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]-4-(2-hydroxyphenyl)-1,5,6,8,12-pentazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene-12-carboxamide?

The IUPAC name of (10S)-N-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]-4-(2-hydroxyphenyl)-1,5,6,8,12-pentazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene-12-carboxamide (CID 163294020) is (10S)-N-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]-4-(2-hydroxyphenyl)-1,5,6,8,12-pentazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene-12-carboxamide.

What is the SMILES notation for (10S)-N-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]-4-(2-hydroxyphenyl)-1,5,6,8,12-pentazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene-12-carboxamide?

The canonical SMILES for (10S)-N-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]-4-(2-hydroxyphenyl)-1,5,6,8,12-pentazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene-12-carboxamide is O=C1CCC(N2C(=O)c3ccc(N4CCC(CN5CCC(NC(=O)N6CCN7c8cc(-c9ccccc9O)nnc8NC[C@H]7C6)CC5)CC4)cc3C2=O)C(=O)N1.

What is the InChIKey of (10S)-N-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]-4-(2-hydroxyphenyl)-1,5,6,8,12-pentazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene-12-carboxamide?

The InChIKey is GXXQPWZFMGPBGA-BSXJZHEVSA-N. The full InChI is InChI=1S/C40H46N10O6/c51-34-4-2-1-3-29(34)31-20-33-36(45-44-31)41-21-27-23-48(17-18-49(27)33)40(56)42-25-11-13-46(14-12-25)22-24-9-15-47(16-10-24)26-5-6-28-30(19-26)39(55)50(38(28)54)32-7-8-35(52)43-37(32)53/h1-6,19-20,24-25,27,32,51H,7-18,21-23H2,(H,41,45)(H,42,56)(H,43,52,53)/t27-,32?/m0/s1.

What are the key properties of (10S)-N-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]-4-(2-hydroxyphenyl)-1,5,6,8,12-pentazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene-12-carboxamide?

(10S)-N-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]-4-(2-hydroxyphenyl)-1,5,6,8,12-pentazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene-12-carboxamide has a molecular weight of 762.87 g/mol, XLogP of 2.26, 6 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for (10S)-N-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]-4-(2-hydroxyphenyl)-1,5,6,8,12-pentazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene-12-carboxamide is sourced from PubChem (CID 163294020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).