[4-[4-[[3-carbamoyl-1-[4-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propoxy]ethylcarbamoyl]phenyl]pyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]-(2,2,2-trifluoroethyl)carbamic acid

C41H35F3N10O11 — CID 138694174

IUPAC[4-[4-[[3-carbamoyl-1-[4-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propoxy]ethylcarbamoyl]phenyl]pyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]-(2,2,2-trifluoroethyl)carbamic acid
SMILESNC(=O)c1nn(-c2ccc(C(=O)NCCOCCCc3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)cc2)cc1NC(=O)c1coc(-c2ccnc(N(CC(F)(F)F)C(=O)O)c2)n1
InChIInChI=1S/C41H35F3N10O11/c42-41(43,44)20-52(40(62)63)30-17-23(11-12-46-30)37-49-28(19-65-37)35(58)48-27-18-53(51-32(27)33(45)56)24-6-4-22(5-7-24)34(57)47-13-15-64-14-1-2-21-3-8-25-26(16-21)39(61)54(38(25)60)29-9-10-31(55)50-36(29)59/h3-8,11-12,16-19,29H,1-2,9-10,13-15,20H2,(H2,45,56)(H,47,57)(H,48,58)(H,62,63)(H,50,55,59)
InChIKeyMFZAZWJXCVCMOI-UHFFFAOYSA-N
MW900.78 g/mol
LogP3.10
Rot. Bonds16

About [4-[4-[[3-carbamoyl-1-[4-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propoxy]ethylcarbamoyl]phenyl]pyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]-(2,2,2-trifluoroethyl)carbamic acid

[4-[4-[[3-carbamoyl-1-[4-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propoxy]ethylcarbamoyl]phenyl]pyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]-(2,2,2-trifluoroethyl)carbamic acid (PubChem CID 138694174) has the molecular formula C41H35F3N10O11 and a molecular weight of 900.78 g/mol. Its IUPAC name is [4-[4-[[3-carbamoyl-1-[4-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propoxy]ethylcarbamoyl]phenyl]pyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]-(2,2,2-trifluoroethyl)carbamic acid.

Molecular Properties

Compound Name[4-[4-[[3-carbamoyl-1-[4-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propoxy]ethylcarbamoyl]phenyl]pyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]-(2,2,2-trifluoroethyl)carbamic acid
PubChem CID138694174
Molecular FormulaC41H35F3N10O11
Molecular Weight900.78 g/mol
Exact Mass900.24
IUPAC Name[4-[4-[[3-carbamoyl-1-[4-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propoxy]ethylcarbamoyl]phenyl]pyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]-(2,2,2-trifluoroethyl)carbamic acid
SMILESNC(=O)c1nn(-c2ccc(C(=O)NCCOCCCc3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)cc2)cc1NC(=O)c1coc(-c2ccnc(N(CC(F)(F)F)C(=O)O)c2)n1
InChIInChI=1S/C41H35F3N10O11/c42-41(43,44)20-52(40(62)63)30-17-23(11-12-46-30)37-49-28(19-65-37)35(58)48-27-18-53(51-32(27)33(45)56)24-6-4-22(5-7-24)34(57)47-13-15-64-14-1-2-21-3-8-25-26(16-21)39(61)54(38(25)60)29-9-10-31(55)50-36(29)59/h3-8,11-12,16-19,29H,1-2,9-10,13-15,20H2,(H2,45,56)(H,47,57)(H,48,58)(H,62,63)(H,50,55,59)
InChIKeyMFZAZWJXCVCMOI-UHFFFAOYSA-N
XLogP3.10
TPSA291.35 Ų
H-Bond Donors5
H-Bond Acceptors14
Rotatable Bonds16
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500900.78
LogP ≤ 53.10
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze [4-[4-[[3-carbamoyl-1-[4-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propoxy]ethylcarbamoyl]phenyl]pyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]-(2,2,2-trifluoroethyl)carbamic acid 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-[4-[[3-carbamoyl-1-[4-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propoxy]ethylcarbamoyl]phenyl]pyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]-(2,2,2-trifluoroethyl)carbamic acid?
The IUPAC name of [4-[4-[[3-carbamoyl-1-[4-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propoxy]ethylcarbamoyl]phenyl]pyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]-(2,2,2-trifluoroethyl)carbamic acid (CID 138694174) is [4-[4-[[3-carbamoyl-1-[4-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propoxy]ethylcarbamoyl]phenyl]pyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]-(2,2,2-trifluoroethyl)carbamic acid.
What is the SMILES notation for [4-[4-[[3-carbamoyl-1-[4-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propoxy]ethylcarbamoyl]phenyl]pyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]-(2,2,2-trifluoroethyl)carbamic acid?
The canonical SMILES for [4-[4-[[3-carbamoyl-1-[4-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propoxy]ethylcarbamoyl]phenyl]pyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]-(2,2,2-trifluoroethyl)carbamic acid is NC(=O)c1nn(-c2ccc(C(=O)NCCOCCCc3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)cc2)cc1NC(=O)c1coc(-c2ccnc(N(CC(F)(F)F)C(=O)O)c2)n1.
What is the InChIKey of [4-[4-[[3-carbamoyl-1-[4-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propoxy]ethylcarbamoyl]phenyl]pyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]-(2,2,2-trifluoroethyl)carbamic acid?
The InChIKey is MFZAZWJXCVCMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H35F3N10O11/c42-41(43,44)20-52(40(62)63)30-17-23(11-12-46-30)37-49-28(19-65-37)35(58)48-27-18-53(51-32(27)33(45)56)24-6-4-22(5-7-24)34(57)47-13-15-64-14-1-2-21-3-8-25-26(16-21)39(61)54(38(25)60)29-9-10-31(55)50-36(29)59/h3-8,11-12,16-19,29H,1-2,9-10,13-15,20H2,(H2,45,56)(H,47,57)(H,48,58)(H,62,63)(H,50,55,59).
What are the key properties of [4-[4-[[3-carbamoyl-1-[4-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propoxy]ethylcarbamoyl]phenyl]pyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]-(2,2,2-trifluoroethyl)carbamic acid?
[4-[4-[[3-carbamoyl-1-[4-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propoxy]ethylcarbamoyl]phenyl]pyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]-(2,2,2-trifluoroethyl)carbamic acid has a molecular weight of 900.78 g/mol, XLogP of 3.10, 16 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[[3-carbamoyl-1-[4-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propoxy]ethylcarbamoyl]phenyl]pyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]-(2,2,2-trifluoroethyl)carbamic acid is sourced from PubChem (CID 138694174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).