6-[3-[4-[2-[1-[3-[4-cyano-3-(trifluoromethyl)phenoxy]-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]piperazin-1-yl]propyl]pyridine-3-carboxamide

C42H44F3N7O6 — CID 140860996

IUPAC6-[3-[4-[2-[1-[3-[4-cyano-3-(trifluoromethyl)phenoxy]-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]piperazin-1-yl]propyl]pyridine-3-carboxamide
SMILESCC1(C)C(Oc2ccc(C#N)c(C(F)(F)F)c2)C(C)(C)C1N1C(=O)CCC(N2C(=O)c3ccc(N4CCN(CCCc5ccc(C(N)=O)cn5)CC4)cc3C2=O)C1=O
InChIInChI=1S/C42H44F3N7O6/c1-40(2)38(41(3,4)39(40)58-28-11-8-24(22-46)31(21-28)42(43,44)45)52-33(53)14-13-32(37(52)57)51-35(55)29-12-10-27(20-30(29)36(51)56)50-18-16-49(17-19-50)15-5-6-26-9-7-25(23-48-26)34(47)54/h7-12,20-21,23,32,38-39H,5-6,13-19H2,1-4H3,(H2,47,54)
InChIKeyPPNMQNNANVSKRP-UHFFFAOYSA-N
MW799.85 g/mol
LogP4.82
Rot. Bonds10

About 6-[3-[4-[2-[1-[3-[4-cyano-3-(trifluoromethyl)phenoxy]-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]piperazin-1-yl]propyl]pyridine-3-carboxamide

6-[3-[4-[2-[1-[3-[4-cyano-3-(trifluoromethyl)phenoxy]-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]piperazin-1-yl]propyl]pyridine-3-carboxamide (PubChem CID 140860996) has the molecular formula C42H44F3N7O6 and a molecular weight of 799.85 g/mol. Its IUPAC name is 6-[3-[4-[2-[1-[3-[4-cyano-3-(trifluoromethyl)phenoxy]-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]piperazin-1-yl]propyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[3-[4-[2-[1-[3-[4-cyano-3-(trifluoromethyl)phenoxy]-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]piperazin-1-yl]propyl]pyridine-3-carboxamide
PubChem CID140860996
Molecular FormulaC42H44F3N7O6
Molecular Weight799.85 g/mol
Exact Mass799.33
IUPAC Name6-[3-[4-[2-[1-[3-[4-cyano-3-(trifluoromethyl)phenoxy]-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]piperazin-1-yl]propyl]pyridine-3-carboxamide
SMILESCC1(C)C(Oc2ccc(C#N)c(C(F)(F)F)c2)C(C)(C)C1N1C(=O)CCC(N2C(=O)c3ccc(N4CCN(CCCc5ccc(C(N)=O)cn5)CC4)cc3C2=O)C1=O
InChIInChI=1S/C42H44F3N7O6/c1-40(2)38(41(3,4)39(40)58-28-11-8-24(22-46)31(21-28)42(43,44)45)52-33(53)14-13-32(37(52)57)51-35(55)29-12-10-27(20-30(29)36(51)56)50-18-16-49(17-19-50)15-5-6-26-9-7-25(23-48-26)34(47)54/h7-12,20-21,23,32,38-39H,5-6,13-19H2,1-4H3,(H2,47,54)
InChIKeyPPNMQNNANVSKRP-UHFFFAOYSA-N
XLogP4.82
TPSA170.24 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms58
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500799.85
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 6-[3-[4-[2-[1-[3-[4-cyano-3-(trifluoromethyl)phenoxy]-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]piperazin-1-yl]propyl]pyridine-3-carboxamide 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 6-[3-[4-[2-[1-[3-[4-cyano-3-(trifluoromethyl)phenoxy]-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]piperazin-1-yl]propyl]pyridine-3-carboxamide?
The IUPAC name of 6-[3-[4-[2-[1-[3-[4-cyano-3-(trifluoromethyl)phenoxy]-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]piperazin-1-yl]propyl]pyridine-3-carboxamide (CID 140860996) is 6-[3-[4-[2-[1-[3-[4-cyano-3-(trifluoromethyl)phenoxy]-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]piperazin-1-yl]propyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[3-[4-[2-[1-[3-[4-cyano-3-(trifluoromethyl)phenoxy]-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]piperazin-1-yl]propyl]pyridine-3-carboxamide?
The canonical SMILES for 6-[3-[4-[2-[1-[3-[4-cyano-3-(trifluoromethyl)phenoxy]-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]piperazin-1-yl]propyl]pyridine-3-carboxamide is CC1(C)C(Oc2ccc(C#N)c(C(F)(F)F)c2)C(C)(C)C1N1C(=O)CCC(N2C(=O)c3ccc(N4CCN(CCCc5ccc(C(N)=O)cn5)CC4)cc3C2=O)C1=O.
What is the InChIKey of 6-[3-[4-[2-[1-[3-[4-cyano-3-(trifluoromethyl)phenoxy]-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]piperazin-1-yl]propyl]pyridine-3-carboxamide?
The InChIKey is PPNMQNNANVSKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H44F3N7O6/c1-40(2)38(41(3,4)39(40)58-28-11-8-24(22-46)31(21-28)42(43,44)45)52-33(53)14-13-32(37(52)57)51-35(55)29-12-10-27(20-30(29)36(51)56)50-18-16-49(17-19-50)15-5-6-26-9-7-25(23-48-26)34(47)54/h7-12,20-21,23,32,38-39H,5-6,13-19H2,1-4H3,(H2,47,54).
What are the key properties of 6-[3-[4-[2-[1-[3-[4-cyano-3-(trifluoromethyl)phenoxy]-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]piperazin-1-yl]propyl]pyridine-3-carboxamide?
6-[3-[4-[2-[1-[3-[4-cyano-3-(trifluoromethyl)phenoxy]-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]piperazin-1-yl]propyl]pyridine-3-carboxamide has a molecular weight of 799.85 g/mol, XLogP of 4.82, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[4-[2-[1-[3-[4-cyano-3-(trifluoromethyl)phenoxy]-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]piperazin-1-yl]propyl]pyridine-3-carboxamide is sourced from PubChem (CID 140860996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).