6-[4-[2-[4-[2-[1-[3-(8-cyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]-5-fluoropyridine-3-carboxamide

C48H52FN9O6 — CID 155640121

IUPAC6-[4-[2-[4-[2-[1-[3-(8-cyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]-5-fluoropyridine-3-carboxamide
SMILESCC1(C)C(Oc2ccc(C#N)c3ncccc23)C(C)(C)C1N1C(=O)CCC(N2C(=O)c3ccc(N4CCN(CCC5CCN(c6ncc(C(N)=O)cc6F)CC5)CC4)cc3C2=O)C1=O
InChIInChI=1S/C48H52FN9O6/c1-47(2)45(48(3,4)46(47)64-37-11-7-29(26-50)39-33(37)6-5-16-52-39)58-38(59)12-10-36(44(58)63)57-42(61)32-9-8-31(25-34(32)43(57)62)55-22-20-54(21-23-55)17-13-28-14-18-56(19-15-28)41-35(49)24-30(27-53-41)40(51)60/h5-9,11,16,24-25,27-28,36,45-46H,10,12-15,17-23H2,1-4H3,(H2,51,60)
InChIKeyRMWVSEVZOAWCLH-UHFFFAOYSA-N
MW870.00 g/mol
LogP5.16
Rot. Bonds10

About 6-[4-[2-[4-[2-[1-[3-(8-cyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]-5-fluoropyridine-3-carboxamide

6-[4-[2-[4-[2-[1-[3-(8-cyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]-5-fluoropyridine-3-carboxamide (PubChem CID 155640121) has the molecular formula C48H52FN9O6 and a molecular weight of 870.00 g/mol. Its IUPAC name is 6-[4-[2-[4-[2-[1-[3-(8-cyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]-5-fluoropyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[2-[4-[2-[1-[3-(8-cyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]-5-fluoropyridine-3-carboxamide
PubChem CID155640121
Molecular FormulaC48H52FN9O6
Molecular Weight870.00 g/mol
Exact Mass869.40
IUPAC Name6-[4-[2-[4-[2-[1-[3-(8-cyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]-5-fluoropyridine-3-carboxamide
SMILESCC1(C)C(Oc2ccc(C#N)c3ncccc23)C(C)(C)C1N1C(=O)CCC(N2C(=O)c3ccc(N4CCN(CCC5CCN(c6ncc(C(N)=O)cc6F)CC5)CC4)cc3C2=O)C1=O
InChIInChI=1S/C48H52FN9O6/c1-47(2)45(48(3,4)46(47)64-37-11-7-29(26-50)39-33(37)6-5-16-52-39)58-38(59)12-10-36(44(58)63)57-42(61)32-9-8-31(25-34(32)43(57)62)55-22-20-54(21-23-55)17-13-28-14-18-56(19-15-28)41-35(49)24-30(27-53-41)40(51)60/h5-9,11,16,24-25,27-28,36,45-46H,10,12-15,17-23H2,1-4H3,(H2,51,60)
InChIKeyRMWVSEVZOAWCLH-UHFFFAOYSA-N
XLogP5.16
TPSA186.37 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500870.00
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 6-[4-[2-[4-[2-[1-[3-(8-cyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]-5-fluoropyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-[4-[2-[1-[3-(8-cyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]-5-fluoropyridine-3-carboxamide?
The IUPAC name of 6-[4-[2-[4-[2-[1-[3-(8-cyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]-5-fluoropyridine-3-carboxamide (CID 155640121) is 6-[4-[2-[4-[2-[1-[3-(8-cyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]-5-fluoropyridine-3-carboxamide.
What is the SMILES notation for 6-[4-[2-[4-[2-[1-[3-(8-cyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]-5-fluoropyridine-3-carboxamide?
The canonical SMILES for 6-[4-[2-[4-[2-[1-[3-(8-cyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]-5-fluoropyridine-3-carboxamide is CC1(C)C(Oc2ccc(C#N)c3ncccc23)C(C)(C)C1N1C(=O)CCC(N2C(=O)c3ccc(N4CCN(CCC5CCN(c6ncc(C(N)=O)cc6F)CC5)CC4)cc3C2=O)C1=O.
What is the InChIKey of 6-[4-[2-[4-[2-[1-[3-(8-cyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]-5-fluoropyridine-3-carboxamide?
The InChIKey is RMWVSEVZOAWCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H52FN9O6/c1-47(2)45(48(3,4)46(47)64-37-11-7-29(26-50)39-33(37)6-5-16-52-39)58-38(59)12-10-36(44(58)63)57-42(61)32-9-8-31(25-34(32)43(57)62)55-22-20-54(21-23-55)17-13-28-14-18-56(19-15-28)41-35(49)24-30(27-53-41)40(51)60/h5-9,11,16,24-25,27-28,36,45-46H,10,12-15,17-23H2,1-4H3,(H2,51,60).
What are the key properties of 6-[4-[2-[4-[2-[1-[3-(8-cyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]-5-fluoropyridine-3-carboxamide?
6-[4-[2-[4-[2-[1-[3-(8-cyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]-5-fluoropyridine-3-carboxamide has a molecular weight of 870.00 g/mol, XLogP of 5.16, 10 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-[4-[2-[1-[3-(8-cyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]-5-fluoropyridine-3-carboxamide is sourced from PubChem (CID 155640121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).