N-[3-carbamoyl-1-[4-[[3-[2-(2,6-dioxopiperidin-3-yl)-3-hydroxy-1-oxo-3H-isoindol-5-yl]propylamino]methyl]phenyl]pyrazol-4-yl]-2-pyridin-4-yl-1,3-oxazole-4-carboxamide

C36H33N9O7 — CID 170095261

About N-[3-carbamoyl-1-[4-[[3-[2-(2,6-dioxopiperidin-3-yl)-3-hydroxy-1-oxo-3H-isoindol-5-yl]propylamino]methyl]phenyl]pyrazol-4-yl]-2-pyridin-4-yl-1,3-oxazole-4-carboxamide

N-[3-carbamoyl-1-[4-[[3-[2-(2,6-dioxopiperidin-3-yl)-3-hydroxy-1-oxo-3H-isoindol-5-yl]propylamino]methyl]phenyl]pyrazol-4-yl]-2-pyridin-4-yl-1,3-oxazole-4-carboxamide (PubChem CID 170095261) has the molecular formula C36H33N9O7 and a molecular weight of 703.72 g/mol. Its IUPAC name is N-[3-carbamoyl-1-[4-[[3-[2-(2,6-dioxopiperidin-3-yl)-3-hydroxy-1-oxo-3H-isoindol-5-yl]propylamino]methyl]phenyl]pyrazol-4-yl]-2-pyridin-4-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[3-carbamoyl-1-[4-[[3-[2-(2,6-dioxopiperidin-3-yl)-3-hydroxy-1-oxo-3H-isoindol-5-yl]propylamino]methyl]phenyl]pyrazol-4-yl]-2-pyridin-4-yl-1,3-oxazole-4-carboxamide
• PubChem CID: 170095261
• Molecular Formula: C36H33N9O7
• Molecular Weight: 703.72 g/mol
• Exact Mass: 703.25
• IUPAC Name: N-[3-carbamoyl-1-[4-[[3-[2-(2,6-dioxopiperidin-3-yl)-3-hydroxy-1-oxo-3H-isoindol-5-yl]propylamino]methyl]phenyl]pyrazol-4-yl]-2-pyridin-4-yl-1,3-oxazole-4-carboxamide
• SMILES: NC(=O)c1nn(-c2ccc(CNCCCc3ccc4c(c3)C(O)N(C3CCC(=O)NC3=O)C4=O)cc2)cc1NC(=O)c1coc(-c2ccncc2)n1
• InChI: InChI=1S/C36H33N9O7/c37-31(47)30-26(40-32(48)27-19-52-34(41-27)22-11-14-38-15-12-22)18-44(43-30)23-6-3-21(4-7-23)17-39-13-1-2-20-5-8-24-25(16-20)36(51)45(35(24)50)28-9-10-29(46)42-33(28)49/h3-8,11-12,14-16,18-19,28,36,39,51H,1-2,9-10,13,17H2,(H2,37,47)(H,40,48)(H,42,46,49)
• InChIKey: FNFOWKJGAXLATP-UHFFFAOYSA-N
• XLogP: 2.25
• TPSA: 227.67 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	703.72
LogP ≤ 5	2.25
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-carbamoyl-1-[4-[[3-[2-(2,6-dioxopiperidin-3-yl)-3-hydroxy-1-oxo-3H-isoindol-5-yl]propylamino]methyl]phenyl]pyrazol-4-yl]-2-pyridin-4-yl-1,3-oxazole-4-carboxamide?

The IUPAC name of N-[3-carbamoyl-1-[4-[[3-[2-(2,6-dioxopiperidin-3-yl)-3-hydroxy-1-oxo-3H-isoindol-5-yl]propylamino]methyl]phenyl]pyrazol-4-yl]-2-pyridin-4-yl-1,3-oxazole-4-carboxamide (CID 170095261) is N-[3-carbamoyl-1-[4-[[3-[2-(2,6-dioxopiperidin-3-yl)-3-hydroxy-1-oxo-3H-isoindol-5-yl]propylamino]methyl]phenyl]pyrazol-4-yl]-2-pyridin-4-yl-1,3-oxazole-4-carboxamide.

What is the SMILES notation for N-[3-carbamoyl-1-[4-[[3-[2-(2,6-dioxopiperidin-3-yl)-3-hydroxy-1-oxo-3H-isoindol-5-yl]propylamino]methyl]phenyl]pyrazol-4-yl]-2-pyridin-4-yl-1,3-oxazole-4-carboxamide?

The canonical SMILES for N-[3-carbamoyl-1-[4-[[3-[2-(2,6-dioxopiperidin-3-yl)-3-hydroxy-1-oxo-3H-isoindol-5-yl]propylamino]methyl]phenyl]pyrazol-4-yl]-2-pyridin-4-yl-1,3-oxazole-4-carboxamide is NC(=O)c1nn(-c2ccc(CNCCCc3ccc4c(c3)C(O)N(C3CCC(=O)NC3=O)C4=O)cc2)cc1NC(=O)c1coc(-c2ccncc2)n1.

What is the InChIKey of N-[3-carbamoyl-1-[4-[[3-[2-(2,6-dioxopiperidin-3-yl)-3-hydroxy-1-oxo-3H-isoindol-5-yl]propylamino]methyl]phenyl]pyrazol-4-yl]-2-pyridin-4-yl-1,3-oxazole-4-carboxamide?

The InChIKey is FNFOWKJGAXLATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H33N9O7/c37-31(47)30-26(40-32(48)27-19-52-34(41-27)22-11-14-38-15-12-22)18-44(43-30)23-6-3-21(4-7-23)17-39-13-1-2-20-5-8-24-25(16-20)36(51)45(35(24)50)28-9-10-29(46)42-33(28)49/h3-8,11-12,14-16,18-19,28,36,39,51H,1-2,9-10,13,17H2,(H2,37,47)(H,40,48)(H,42,46,49).

What are the key properties of N-[3-carbamoyl-1-[4-[[3-[2-(2,6-dioxopiperidin-3-yl)-3-hydroxy-1-oxo-3H-isoindol-5-yl]propylamino]methyl]phenyl]pyrazol-4-yl]-2-pyridin-4-yl-1,3-oxazole-4-carboxamide?

N-[3-carbamoyl-1-[4-[[3-[2-(2,6-dioxopiperidin-3-yl)-3-hydroxy-1-oxo-3H-isoindol-5-yl]propylamino]methyl]phenyl]pyrazol-4-yl]-2-pyridin-4-yl-1,3-oxazole-4-carboxamide has a molecular weight of 703.72 g/mol, XLogP of 2.25, 12 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-carbamoyl-1-[4-[[3-[2-(2,6-dioxopiperidin-3-yl)-3-hydroxy-1-oxo-3H-isoindol-5-yl]propylamino]methyl]phenyl]pyrazol-4-yl]-2-pyridin-4-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 170095261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).