3-[4-[2-[(2S,3R,4S,5R)-5-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyloxolan-2-yl]ethyl]phenyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

C42H56N4O5Si — CID 23929865

IUPAC3-[4-[2-[(2S,3R,4S,5R)-5-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyloxolan-2-yl]ethyl]phenyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESCOc1ccc([Si](C)(C)[C@H]2[C@H](C)[C@H](CCc3ccc(N4CN(c5ccccc5)C5(CCNCC5)C4=O)cc3)O[C@@H]2CC(=O)N2CCC[C@H]2CO)cc1
InChIInChI=1S/C42H56N4O5Si/c1-30-37(51-38(27-39(48)44-26-8-11-34(44)28-47)40(30)52(3,4)36-19-17-35(50-2)18-20-36)21-14-31-12-15-32(16-13-31)45-29-46(33-9-6-5-7-10-33)42(41(45)49)22-24-43-25-23-42/h5-7,9-10,12-13,15-20,30,34,37-38,40,43,47H,8,11,14,21-29H2,1-4H3/t30-,34+,37+,38-,40+/m1/s1
InChIKeySJOMGVJOZLVBGU-KHJXMBTMSA-N
MW725.02 g/mol
LogP5.32
Rot. Bonds11

About 3-[4-[2-[(2S,3R,4S,5R)-5-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyloxolan-2-yl]ethyl]phenyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

3-[4-[2-[(2S,3R,4S,5R)-5-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyloxolan-2-yl]ethyl]phenyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (PubChem CID 23929865) has the molecular formula C42H56N4O5Si and a molecular weight of 725.02 g/mol. Its IUPAC name is 3-[4-[2-[(2S,3R,4S,5R)-5-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyloxolan-2-yl]ethyl]phenyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name3-[4-[2-[(2S,3R,4S,5R)-5-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyloxolan-2-yl]ethyl]phenyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
PubChem CID23929865
Molecular FormulaC42H56N4O5Si
Molecular Weight725.02 g/mol
Exact Mass724.40
IUPAC Name3-[4-[2-[(2S,3R,4S,5R)-5-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyloxolan-2-yl]ethyl]phenyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESCOc1ccc([Si](C)(C)[C@H]2[C@H](C)[C@H](CCc3ccc(N4CN(c5ccccc5)C5(CCNCC5)C4=O)cc3)O[C@@H]2CC(=O)N2CCC[C@H]2CO)cc1
InChIInChI=1S/C42H56N4O5Si/c1-30-37(51-38(27-39(48)44-26-8-11-34(44)28-47)40(30)52(3,4)36-19-17-35(50-2)18-20-36)21-14-31-12-15-32(16-13-31)45-29-46(33-9-6-5-7-10-33)42(41(45)49)22-24-43-25-23-42/h5-7,9-10,12-13,15-20,30,34,37-38,40,43,47H,8,11,14,21-29H2,1-4H3/t30-,34+,37+,38-,40+/m1/s1
InChIKeySJOMGVJOZLVBGU-KHJXMBTMSA-N
XLogP5.32
TPSA94.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500725.02
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-[4-[2-[(2S,3R,4S,5R)-5-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyloxolan-2-yl]ethyl]phenyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[2-[(2R,3S,4R,5S)-5-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyloxolan-2-yl]ethyl]phenyl]-4-methoxybenzamide
CID 23985543
1-[4-[2-[(2S,3R,4S,5R)-5-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyloxolan-2-yl]ethyl]phenyl]piperazin-2-one
CID 23985481
3-[3-[2-[(2S,3R,4S,5R)-5-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyloxolan-2-yl]ethyl]phenyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 23873945
3-[4-[2-[(2S,3R,4S,5R)-4-[fluoro(dimethyl)silyl]-5-(2-hydroxyethyl)-3-methyloxolan-2-yl]ethyl]phenyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 23817375
N-[3-[2-[(2R,3S,4R,5S)-5-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyloxolan-2-yl]ethyl]phenyl]-2-(1H-indol-3-yl)acetamide
CID 23985546
2-[(2R,3S,4R,5S)-3-[hydroxy(dimethyl)silyl]-4-methyl-5-(2-phenylethyl)oxolan-2-yl]-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 23929872
1-[4-[2-[(2S,3R,4S,5R)-4-[hydroxy(dimethyl)silyl]-5-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3-methyloxolan-2-yl]ethyl]phenyl]piperidin-2-one
CID 23873988
1-[4-[2-[(2R,3S,4R,5S)-4-[fluoro(dimethyl)silyl]-5-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3-methyloxolan-2-yl]ethyl]phenyl]pyrrolidin-2-one
CID 23759664
(3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3'-dimethyl-5-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)spiro[indole-3,2'-oxolane]-2-one
CID 23984076
(3S,3'S,4'R,5'S)-5'-(2-hydroxyethyl)-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-5-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)-1-[[4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)phenyl]methyl]spiro[indole-3,2'-oxolane]-2-one
CID 23928988
(3R,3'R,4'S,5'R)-1-benzyl-4'-[hydroxy(dimethyl)silyl]-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3'-methyl-5-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)spiro[indole-3,2'-oxolane]-2-one
CID 23759456
3-[3-[2-[(2S,3R,4S,5R)-5-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyloxolan-2-yl]ethyl]phenyl]-1,3-oxazolidin-2-one
CID 23985483

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-[(2S,3R,4S,5R)-5-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyloxolan-2-yl]ethyl]phenyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The IUPAC name of 3-[4-[2-[(2S,3R,4S,5R)-5-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyloxolan-2-yl]ethyl]phenyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (CID 23929865) is 3-[4-[2-[(2S,3R,4S,5R)-5-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyloxolan-2-yl]ethyl]phenyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.
What is the SMILES notation for 3-[4-[2-[(2S,3R,4S,5R)-5-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyloxolan-2-yl]ethyl]phenyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The canonical SMILES for 3-[4-[2-[(2S,3R,4S,5R)-5-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyloxolan-2-yl]ethyl]phenyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is COc1ccc([Si](C)(C)[C@H]2[C@H](C)[C@H](CCc3ccc(N4CN(c5ccccc5)C5(CCNCC5)C4=O)cc3)O[C@@H]2CC(=O)N2CCC[C@H]2CO)cc1.
What is the InChIKey of 3-[4-[2-[(2S,3R,4S,5R)-5-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyloxolan-2-yl]ethyl]phenyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The InChIKey is SJOMGVJOZLVBGU-KHJXMBTMSA-N. The full InChI is InChI=1S/C42H56N4O5Si/c1-30-37(51-38(27-39(48)44-26-8-11-34(44)28-47)40(30)52(3,4)36-19-17-35(50-2)18-20-36)21-14-31-12-15-32(16-13-31)45-29-46(33-9-6-5-7-10-33)42(41(45)49)22-24-43-25-23-42/h5-7,9-10,12-13,15-20,30,34,37-38,40,43,47H,8,11,14,21-29H2,1-4H3/t30-,34+,37+,38-,40+/m1/s1.
What are the key properties of 3-[4-[2-[(2S,3R,4S,5R)-5-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyloxolan-2-yl]ethyl]phenyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
3-[4-[2-[(2S,3R,4S,5R)-5-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyloxolan-2-yl]ethyl]phenyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one has a molecular weight of 725.02 g/mol, XLogP of 5.32, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-[(2S,3R,4S,5R)-5-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyloxolan-2-yl]ethyl]phenyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is sourced from PubChem (CID 23929865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).