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

C47H50FN9O6 — CID 155277981

IUPACN-[3-(8-cyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-6-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-5-fluoropyridine-3-carboxamide
SMILESCC1(C)C(NC(=O)c2cnc(N3CCC(CN4CCN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)c(F)c2)C(C)(C)C1Oc1ccc(C#N)c2ncccc12
InChIInChI=1S/C47H50FN9O6/c1-46(2)44(47(3,4)45(46)63-36-11-7-28(24-49)38-32(36)6-5-15-50-38)53-40(59)29-22-34(48)39(51-25-29)56-16-13-27(14-17-56)26-54-18-20-55(21-19-54)30-8-9-31-33(23-30)43(62)57(42(31)61)35-10-12-37(58)52-41(35)60/h5-9,11,15,22-23,25,27,35,44-45H,10,12-14,16-21,26H2,1-4H3,(H,53,59)(H,52,58,60)
InChIKeyCSFILJLYWKBASJ-UHFFFAOYSA-N
MW855.97 g/mol
LogP4.69
Rot. Bonds9

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

N-[3-(8-cyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-6-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-5-fluoropyridine-3-carboxamide (PubChem CID 155277981) has the molecular formula C47H50FN9O6 and a molecular weight of 855.97 g/mol. Its IUPAC name is N-[3-(8-cyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-6-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-5-fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(8-cyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-6-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-5-fluoropyridine-3-carboxamide
PubChem CID155277981
Molecular FormulaC47H50FN9O6
Molecular Weight855.97 g/mol
Exact Mass855.39
IUPAC NameN-[3-(8-cyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-6-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-5-fluoropyridine-3-carboxamide
SMILESCC1(C)C(NC(=O)c2cnc(N3CCC(CN4CCN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)c(F)c2)C(C)(C)C1Oc1ccc(C#N)c2ncccc12
InChIInChI=1S/C47H50FN9O6/c1-46(2)44(47(3,4)45(46)63-36-11-7-28(24-49)38-32(36)6-5-15-50-38)53-40(59)29-22-34(48)39(51-25-29)56-16-13-27(14-17-56)26-54-18-20-55(21-19-54)30-8-9-31-33(23-30)43(62)57(42(31)61)35-10-12-37(58)52-41(35)60/h5-9,11,15,22-23,25,27,35,44-45H,10,12-14,16-21,26H2,1-4H3,(H,53,59)(H,52,58,60)
InChIKeyCSFILJLYWKBASJ-UHFFFAOYSA-N
XLogP4.69
TPSA181.17 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500855.97
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(8-cyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-6-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-5-fluoropyridine-3-carboxamide?
The IUPAC name of N-[3-(8-cyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-6-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-5-fluoropyridine-3-carboxamide (CID 155277981) is N-[3-(8-cyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-6-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-5-fluoropyridine-3-carboxamide.
What is the SMILES notation for N-[3-(8-cyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-6-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-5-fluoropyridine-3-carboxamide?
The canonical SMILES for N-[3-(8-cyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-6-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-5-fluoropyridine-3-carboxamide is CC1(C)C(NC(=O)c2cnc(N3CCC(CN4CCN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)c(F)c2)C(C)(C)C1Oc1ccc(C#N)c2ncccc12.
What is the InChIKey of N-[3-(8-cyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-6-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-5-fluoropyridine-3-carboxamide?
The InChIKey is CSFILJLYWKBASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H50FN9O6/c1-46(2)44(47(3,4)45(46)63-36-11-7-28(24-49)38-32(36)6-5-15-50-38)53-40(59)29-22-34(48)39(51-25-29)56-16-13-27(14-17-56)26-54-18-20-55(21-19-54)30-8-9-31-33(23-30)43(62)57(42(31)61)35-10-12-37(58)52-41(35)60/h5-9,11,15,22-23,25,27,35,44-45H,10,12-14,16-21,26H2,1-4H3,(H,53,59)(H,52,58,60).
What are the key properties of N-[3-(8-cyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-6-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-5-fluoropyridine-3-carboxamide?
N-[3-(8-cyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-6-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-5-fluoropyridine-3-carboxamide has a molecular weight of 855.97 g/mol, XLogP of 4.69, 9 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(8-cyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-6-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-5-fluoropyridine-3-carboxamide is sourced from PubChem (CID 155277981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).