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

C48H52FN9O6 — CID 155278023

IUPACN-[3-(8-cyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-6-[4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]-5-fluoropyridine-3-carboxamide
SMILESCC1(C)C(NC(=O)c2cnc(N3CCC(CCN4CCN(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/C48H52FN9O6/c1-47(2)45(48(3,4)46(47)64-37-11-7-29(26-50)39-33(37)6-5-16-51-39)54-41(60)30-24-35(49)40(52-27-30)57-18-14-28(15-19-57)13-17-55-20-22-56(23-21-55)31-8-9-32-34(25-31)44(63)58(43(32)62)36-10-12-38(59)53-42(36)61/h5-9,11,16,24-25,27-28,36,45-46H,10,12-15,17-23H2,1-4H3,(H,54,60)(H,53,59,61)
InChIKeyIDPRZVDVJJFCCH-UHFFFAOYSA-N
MW870.00 g/mol
LogP5.08
Rot. Bonds10

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

N-[3-(8-cyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-6-[4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]-5-fluoropyridine-3-carboxamide (PubChem CID 155278023) has the molecular formula C48H52FN9O6 and a molecular weight of 870.00 g/mol. Its IUPAC name is N-[3-(8-cyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-6-[4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]-5-fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(8-cyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-6-[4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]-5-fluoropyridine-3-carboxamide
PubChem CID155278023
Molecular FormulaC48H52FN9O6
Molecular Weight870.00 g/mol
Exact Mass869.40
IUPAC NameN-[3-(8-cyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-6-[4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]-5-fluoropyridine-3-carboxamide
SMILESCC1(C)C(NC(=O)c2cnc(N3CCC(CCN4CCN(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/C48H52FN9O6/c1-47(2)45(48(3,4)46(47)64-37-11-7-29(26-50)39-33(37)6-5-16-51-39)54-41(60)30-24-35(49)40(52-27-30)57-18-14-28(15-19-57)13-17-55-20-22-56(23-21-55)31-8-9-32-34(25-31)44(63)58(43(32)62)36-10-12-38(59)53-42(36)61/h5-9,11,16,24-25,27-28,36,45-46H,10,12-15,17-23H2,1-4H3,(H,54,60)(H,53,59,61)
InChIKeyIDPRZVDVJJFCCH-UHFFFAOYSA-N
XLogP5.08
TPSA181.17 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500870.00
LogP ≤ 55.08
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-[2-[4-[2-(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 N-[3-(8-cyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-6-[4-[2-[4-[2-(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 N-[3-(8-cyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-6-[4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]-5-fluoropyridine-3-carboxamide (CID 155278023) is N-[3-(8-cyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-6-[4-[2-[4-[2-(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 N-[3-(8-cyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-6-[4-[2-[4-[2-(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 N-[3-(8-cyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-6-[4-[2-[4-[2-(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(NC(=O)c2cnc(N3CCC(CCN4CCN(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-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]-5-fluoropyridine-3-carboxamide?
The InChIKey is IDPRZVDVJJFCCH-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)6-5-16-51-39)54-41(60)30-24-35(49)40(52-27-30)57-18-14-28(15-19-57)13-17-55-20-22-56(23-21-55)31-8-9-32-34(25-31)44(63)58(43(32)62)36-10-12-38(59)53-42(36)61/h5-9,11,16,24-25,27-28,36,45-46H,10,12-15,17-23H2,1-4H3,(H,54,60)(H,53,59,61).
What are the key properties of N-[3-(8-cyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-6-[4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]-5-fluoropyridine-3-carboxamide?
N-[3-(8-cyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-6-[4-[2-[4-[2-(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 5.08, 10 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-[2-[4-[2-(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 155278023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).