4-[[1-[1-[2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-hydroxy-2-oxopiperidin-3-yl)isoindole-1,3-dione

C34H34FN7O6 — CID 155470215

IUPAC4-[[1-[1-[2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-hydroxy-2-oxopiperidin-3-yl)isoindole-1,3-dione
SMILESCc1oc(-c2cccc(F)c2)nc1CC(=O)N1CCC(n2cc(CNc3cccc4c3C(=O)N(C3CCC(O)NC3=O)C4=O)cn2)CC1
InChIInChI=1S/C34H34FN7O6/c1-19-26(38-32(48-19)21-4-2-5-22(35)14-21)15-29(44)40-12-10-23(11-13-40)41-18-20(17-37-41)16-36-25-7-3-6-24-30(25)34(47)42(33(24)46)27-8-9-28(43)39-31(27)45/h2-7,14,17-18,23,27-28,36,43H,8-13,15-16H2,1H3,(H,39,45)
InChIKeyKXWYXDARIRQOQW-UHFFFAOYSA-N
MW655.69 g/mol
LogP3.20
Rot. Bonds8

About 4-[[1-[1-[2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-hydroxy-2-oxopiperidin-3-yl)isoindole-1,3-dione

4-[[1-[1-[2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-hydroxy-2-oxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 155470215) has the molecular formula C34H34FN7O6 and a molecular weight of 655.69 g/mol. Its IUPAC name is 4-[[1-[1-[2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-hydroxy-2-oxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name4-[[1-[1-[2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-hydroxy-2-oxopiperidin-3-yl)isoindole-1,3-dione
PubChem CID155470215
Molecular FormulaC34H34FN7O6
Molecular Weight655.69 g/mol
Exact Mass655.26
IUPAC Name4-[[1-[1-[2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-hydroxy-2-oxopiperidin-3-yl)isoindole-1,3-dione
SMILESCc1oc(-c2cccc(F)c2)nc1CC(=O)N1CCC(n2cc(CNc3cccc4c3C(=O)N(C3CCC(O)NC3=O)C4=O)cn2)CC1
InChIInChI=1S/C34H34FN7O6/c1-19-26(38-32(48-19)21-4-2-5-22(35)14-21)15-29(44)40-12-10-23(11-13-40)41-18-20(17-37-41)16-36-25-7-3-6-24-30(25)34(47)42(33(24)46)27-8-9-28(43)39-31(27)45/h2-7,14,17-18,23,27-28,36,43H,8-13,15-16H2,1H3,(H,39,45)
InChIKeyKXWYXDARIRQOQW-UHFFFAOYSA-N
XLogP3.20
TPSA162.90 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500655.69
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 4-[[1-[1-[2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-hydroxy-2-oxopiperidin-3-yl)isoindole-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[1-[2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-hydroxy-2-oxopiperidin-3-yl)isoindole-1,3-dione?
The IUPAC name of 4-[[1-[1-[2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-hydroxy-2-oxopiperidin-3-yl)isoindole-1,3-dione (CID 155470215) is 4-[[1-[1-[2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-hydroxy-2-oxopiperidin-3-yl)isoindole-1,3-dione.
What is the SMILES notation for 4-[[1-[1-[2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-hydroxy-2-oxopiperidin-3-yl)isoindole-1,3-dione?
The canonical SMILES for 4-[[1-[1-[2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-hydroxy-2-oxopiperidin-3-yl)isoindole-1,3-dione is Cc1oc(-c2cccc(F)c2)nc1CC(=O)N1CCC(n2cc(CNc3cccc4c3C(=O)N(C3CCC(O)NC3=O)C4=O)cn2)CC1.
What is the InChIKey of 4-[[1-[1-[2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-hydroxy-2-oxopiperidin-3-yl)isoindole-1,3-dione?
The InChIKey is KXWYXDARIRQOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34FN7O6/c1-19-26(38-32(48-19)21-4-2-5-22(35)14-21)15-29(44)40-12-10-23(11-13-40)41-18-20(17-37-41)16-36-25-7-3-6-24-30(25)34(47)42(33(24)46)27-8-9-28(43)39-31(27)45/h2-7,14,17-18,23,27-28,36,43H,8-13,15-16H2,1H3,(H,39,45).
What are the key properties of 4-[[1-[1-[2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-hydroxy-2-oxopiperidin-3-yl)isoindole-1,3-dione?
4-[[1-[1-[2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-hydroxy-2-oxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 655.69 g/mol, XLogP of 3.20, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[1-[2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-hydroxy-2-oxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 155470215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).