N-[2-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]piperazin-1-yl]-5-[(3R)-3-hydroxypyrrolidin-1-yl]-[1,3]oxazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide

C38H36N10O8 — CID 168871861

About N-[2-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]piperazin-1-yl]-5-[(3R)-3-hydroxypyrrolidin-1-yl]-[1,3]oxazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide

N-[2-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]piperazin-1-yl]-5-[(3R)-3-hydroxypyrrolidin-1-yl]-[1,3]oxazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide (PubChem CID 168871861) has the molecular formula C38H36N10O8 and a molecular weight of 760.77 g/mol. Its IUPAC name is N-[2-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]piperazin-1-yl]-5-[(3R)-3-hydroxypyrrolidin-1-yl]-[1,3]oxazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[2-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]piperazin-1-yl]-5-[(3R)-3-hydroxypyrrolidin-1-yl]-[1,3]oxazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
• PubChem CID: 168871861
• Molecular Formula: C38H36N10O8
• Molecular Weight: 760.77 g/mol
• Exact Mass: 760.27
• IUPAC Name: N-[2-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]piperazin-1-yl]-5-[(3R)-3-hydroxypyrrolidin-1-yl]-[1,3]oxazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
• SMILES: Cc1cc(-c2nc(C(=O)Nc3cc4oc(N5CCN(Cc6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)nc4nc3N3CC[C@@H](O)C3)co2)ccn1
• InChI: InChI=1S/C38H36N10O8/c1-20-14-22(6-8-39-20)35-41-27(19-55-35)33(51)40-26-16-29-31(43-32(26)47-9-7-23(49)18-47)44-38(56-29)46-12-10-45(11-13-46)17-21-2-3-24-25(15-21)37(54)48(36(24)53)28-4-5-30(50)42-34(28)52/h2-3,6,8,14-16,19,23,28,49H,4-5,7,9-13,17-18H2,1H3,(H,40,51)(H,42,50,52)/t23-,28?/m1/s1
• InChIKey: KQECUPRHWBMFNB-YFIOFSHDSA-N
• XLogP: 2.13
• TPSA: 220.44 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 8
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	760.77
LogP ≤ 5	2.13
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]piperazin-1-yl]-5-[(3R)-3-hydroxypyrrolidin-1-yl]-[1,3]oxazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide?

The IUPAC name of N-[2-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]piperazin-1-yl]-5-[(3R)-3-hydroxypyrrolidin-1-yl]-[1,3]oxazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide (CID 168871861) is N-[2-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]piperazin-1-yl]-5-[(3R)-3-hydroxypyrrolidin-1-yl]-[1,3]oxazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide.

What is the SMILES notation for N-[2-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]piperazin-1-yl]-5-[(3R)-3-hydroxypyrrolidin-1-yl]-[1,3]oxazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide?

The canonical SMILES for N-[2-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]piperazin-1-yl]-5-[(3R)-3-hydroxypyrrolidin-1-yl]-[1,3]oxazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide is Cc1cc(-c2nc(C(=O)Nc3cc4oc(N5CCN(Cc6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)nc4nc3N3CC[C@@H](O)C3)co2)ccn1.

What is the InChIKey of N-[2-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]piperazin-1-yl]-5-[(3R)-3-hydroxypyrrolidin-1-yl]-[1,3]oxazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide?

The InChIKey is KQECUPRHWBMFNB-YFIOFSHDSA-N. The full InChI is InChI=1S/C38H36N10O8/c1-20-14-22(6-8-39-20)35-41-27(19-55-35)33(51)40-26-16-29-31(43-32(26)47-9-7-23(49)18-47)44-38(56-29)46-12-10-45(11-13-46)17-21-2-3-24-25(15-21)37(54)48(36(24)53)28-4-5-30(50)42-34(28)52/h2-3,6,8,14-16,19,23,28,49H,4-5,7,9-13,17-18H2,1H3,(H,40,51)(H,42,50,52)/t23-,28?/m1/s1.

What are the key properties of N-[2-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]piperazin-1-yl]-5-[(3R)-3-hydroxypyrrolidin-1-yl]-[1,3]oxazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide?

N-[2-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]piperazin-1-yl]-5-[(3R)-3-hydroxypyrrolidin-1-yl]-[1,3]oxazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide has a molecular weight of 760.77 g/mol, XLogP of 2.13, 8 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]piperazin-1-yl]-5-[(3R)-3-hydroxypyrrolidin-1-yl]-[1,3]oxazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 168871861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).