8-[5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-2-pyridinyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(4-oxopiperidin-1-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione

C52H48N12O11 — CID 159017161

IUPAC8-[5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-2-pyridinyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(4-oxopiperidin-1-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione
SMILESCOc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(N4CCC(=O)CC4)nc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(N4CCC5(CC4)NC(=O)NC5=O)nc3)NC(=O)NC1=O)C2
InChIInChI=1S/C27H25N7O6.C25H23N5O5/c1-40-18-4-3-17-14-34(21(35)19(17)12-18)15-27(23(37)30-25(39)32-27)7-6-16-2-5-20(28-13-16)33-10-8-26(9-11-33)22(36)29-24(38)31-26;1-35-19-4-3-17-14-30(22(32)20(17)12-19)15-25(23(33)27-24(34)28-25)9-6-16-2-5-21(26-13-16)29-10-7-18(31)8-11-29/h2-5,12-13H,8-11,14-15H2,1H3,(H2,29,31,36,38)(H2,30,32,37,39);2-5,12-13H,7-8,10-11,14-15H2,1H3,(H2,27,28,33,34)/t27-;25-/m11/s1
InChIKeyJTFSWDUUXQRIPH-AAJNLNECSA-N
MW1017.03 g/mol
LogP0.70
Rot. Bonds8

About 8-[5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-2-pyridinyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(4-oxopiperidin-1-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione

8-[5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-2-pyridinyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(4-oxopiperidin-1-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione (PubChem CID 159017161) has the molecular formula C52H48N12O11 and a molecular weight of 1017.03 g/mol. Its IUPAC name is 8-[5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-2-pyridinyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(4-oxopiperidin-1-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name8-[5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-2-pyridinyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(4-oxopiperidin-1-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione
PubChem CID159017161
Molecular FormulaC52H48N12O11
Molecular Weight1017.03 g/mol
Exact Mass1016.36
IUPAC Name8-[5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-2-pyridinyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(4-oxopiperidin-1-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione
SMILESCOc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(N4CCC(=O)CC4)nc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(N4CCC5(CC4)NC(=O)NC5=O)nc3)NC(=O)NC1=O)C2
InChIInChI=1S/C27H25N7O6.C25H23N5O5/c1-40-18-4-3-17-14-34(21(35)19(17)12-18)15-27(23(37)30-25(39)32-27)7-6-16-2-5-20(28-13-16)33-10-8-26(9-11-33)22(36)29-24(38)31-26;1-35-19-4-3-17-14-30(22(32)20(17)12-19)15-25(23(33)27-24(34)28-25)9-6-16-2-5-21(26-13-16)29-10-7-18(31)8-11-29/h2-5,12-13H,8-11,14-15H2,1H3,(H2,29,31,36,38)(H2,30,32,37,39);2-5,12-13H,7-8,10-11,14-15H2,1H3,(H2,27,28,33,34)/t27-;25-/m11/s1
InChIKeyJTFSWDUUXQRIPH-AAJNLNECSA-N
XLogP0.70
TPSA283.01 Ų
H-Bond Donors6
H-Bond Acceptors15
Rotatable Bonds8
Heavy Atoms75
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001017.03
LogP ≤ 50.70
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 8-[5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-2-pyridinyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(4-oxopiperidin-1-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione with MolForge

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Related Compounds

(R)-5-((6-methoxy-1-oxoisoindolin-2-yl)methyl)-5-(pyridin-3-ylethynyl)imidazolidine-2,4-dione
CID 17754305
(R)-5-((6-((4-ethylpiperazin-1-yl)(hydroxyimino)methyl)pyridin-3-yl)ethynyl)-5-((6-methoxy-1-oxoisoindolin-2-yl)methyl)imidazolidine-2,4-dione
CID 136032622
(R)-5-(4-(2-aminopyridin-4-yl)phenyl)-5-((6-methoxy-1-oxoisoindolin-2-yl)methyl)imidazolidine-2,4-dione
CID 49865046
(R)-5-((6-methoxy-1-oxoisoindolin-2-yl)methyl)-5-(4-(1-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl)imidazolidine-2,4-dione
CID 49865225
(5S)-5-imidazo[1,2-a]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 57561223
(5R)-5-[2-[6-[(4-ethylpiperazin-1-yl)methyl]-3-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 46199154
(5R)-5-[2-[4-[6-(4-ethylpiperazin-1-yl)-2-pyridinyl]phenyl]ethynyl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 46199784
(5R)-5-[2-[4-[6-(4-cyclohexylpiperazin-1-yl)-2-pyridinyl]phenyl]ethynyl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 46199786
(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(4-methyl-3-pyridinyl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione
CID 46200252
N-[2-[1-[5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-2-pyridinyl]imidazol-4-yl]ethyl]acetamide
CID 46200415
(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-morpholin-4-yl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione
CID 58041829
(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(4-oxopiperidin-1-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione
CID 58042057

Frequently Asked Questions

What is the IUPAC name of 8-[5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-2-pyridinyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(4-oxopiperidin-1-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione?
The IUPAC name of 8-[5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-2-pyridinyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(4-oxopiperidin-1-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione (CID 159017161) is 8-[5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-2-pyridinyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(4-oxopiperidin-1-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione.
What is the SMILES notation for 8-[5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-2-pyridinyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(4-oxopiperidin-1-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione?
The canonical SMILES for 8-[5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-2-pyridinyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(4-oxopiperidin-1-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(N4CCC(=O)CC4)nc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(N4CCC5(CC4)NC(=O)NC5=O)nc3)NC(=O)NC1=O)C2.
What is the InChIKey of 8-[5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-2-pyridinyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(4-oxopiperidin-1-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione?
The InChIKey is JTFSWDUUXQRIPH-AAJNLNECSA-N. The full InChI is InChI=1S/C27H25N7O6.C25H23N5O5/c1-40-18-4-3-17-14-34(21(35)19(17)12-18)15-27(23(37)30-25(39)32-27)7-6-16-2-5-20(28-13-16)33-10-8-26(9-11-33)22(36)29-24(38)31-26;1-35-19-4-3-17-14-30(22(32)20(17)12-19)15-25(23(33)27-24(34)28-25)9-6-16-2-5-21(26-13-16)29-10-7-18(31)8-11-29/h2-5,12-13H,8-11,14-15H2,1H3,(H2,29,31,36,38)(H2,30,32,37,39);2-5,12-13H,7-8,10-11,14-15H2,1H3,(H2,27,28,33,34)/t27-;25-/m11/s1.
What are the key properties of 8-[5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-2-pyridinyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(4-oxopiperidin-1-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione?
8-[5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-2-pyridinyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(4-oxopiperidin-1-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione has a molecular weight of 1017.03 g/mol, XLogP of 0.70, 8 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-2-pyridinyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(4-oxopiperidin-1-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione is sourced from PubChem (CID 159017161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).