N-[9-[(1R,2S,3R,4R)-4-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]cyclopentyl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide

C48H67N5O7Si2 — CID 155685279

IUPACN-[9-[(1R,2S,3R,4R)-4-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]cyclopentyl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide
SMILESCOc1ccc(C(OC[C@H]2C[C@@H](n3cnc4c(=O)[nH]c(NC(=O)C(C)C)nc43)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O[Si](C)(C)C(C)(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C48H67N5O7Si2/c1-31(2)43(54)51-45-50-42-39(44(55)52-45)49-30-53(42)38-28-32(40(59-61(11,12)46(3,4)5)41(38)60-62(13,14)47(6,7)8)29-58-48(33-18-16-15-17-19-33,34-20-24-36(56-9)25-21-34)35-22-26-37(57-10)27-23-35/h15-27,30-32,38,40-41H,28-29H2,1-14H3,(H2,50,51,52,54,55)/t32-,38-,40-,41+/m1/s1
InChIKeyXSPZALYEKULKBJ-OMUBYBRZSA-N
MW882.26 g/mol
LogP10.08
Rot. Bonds15

About N-[9-[(1R,2S,3R,4R)-4-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]cyclopentyl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide

N-[9-[(1R,2S,3R,4R)-4-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]cyclopentyl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide (PubChem CID 155685279) has the molecular formula C48H67N5O7Si2 and a molecular weight of 882.26 g/mol. Its IUPAC name is N-[9-[(1R,2S,3R,4R)-4-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]cyclopentyl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[9-[(1R,2S,3R,4R)-4-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]cyclopentyl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide
PubChem CID155685279
Molecular FormulaC48H67N5O7Si2
Molecular Weight882.26 g/mol
Exact Mass881.46
IUPAC NameN-[9-[(1R,2S,3R,4R)-4-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]cyclopentyl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide
SMILESCOc1ccc(C(OC[C@H]2C[C@@H](n3cnc4c(=O)[nH]c(NC(=O)C(C)C)nc43)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O[Si](C)(C)C(C)(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C48H67N5O7Si2/c1-31(2)43(54)51-45-50-42-39(44(55)52-45)49-30-53(42)38-28-32(40(59-61(11,12)46(3,4)5)41(38)60-62(13,14)47(6,7)8)29-58-48(33-18-16-15-17-19-33,34-20-24-36(56-9)25-21-34)35-22-26-37(57-10)27-23-35/h15-27,30-32,38,40-41H,28-29H2,1-14H3,(H2,50,51,52,54,55)/t32-,38-,40-,41+/m1/s1
InChIKeyXSPZALYEKULKBJ-OMUBYBRZSA-N
XLogP10.08
TPSA138.82 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500882.26
LogP ≤ 510.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze N-[9-[(1R,2S,3R,4R)-4-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]cyclopentyl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide 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-[9-[(2R,3R,4S)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxythiolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide
CID 174232706
N-[9-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-fluorothiolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide
CID 140772390
N-[9-[(3S)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyoxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide
CID 171699315
N-[9-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy](113C)methyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy(2,3,4,5-13C4)oxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropan(15N)amide
CID 135470486
N-[9-[3-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxycyclopentyl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide
CID 144971382
bis[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfane;N-[9-[(2R,3S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-5-[[(4-methoxyphenyl)-(4-methylphenyl)-phenylmethoxy]methyl]oxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide
CID 158085659
N-[9-[(2R,3R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3,4-dihydroxythiolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide
CID 137102505
N-[9-[(2R,3R,5S)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-(trifluoromethoxy)oxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide
CID 167279588
[(2R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-3-yl] acetate
CID 135473076
[(2R,3R,4R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]-4-(2-methylpropanoyloxy)oxolan-3-yl] 2-methylpropanoate
CID 170904947
[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-3-yl]oxy-hydroxy-oxophosphanium
CID 135442210
[(2R,3R,5S)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-2-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-3-yl]oxy-oxo-sulfidophosphanium
CID 153455335

Frequently Asked Questions

What is the IUPAC name of N-[9-[(1R,2S,3R,4R)-4-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]cyclopentyl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide?
The IUPAC name of N-[9-[(1R,2S,3R,4R)-4-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]cyclopentyl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide (CID 155685279) is N-[9-[(1R,2S,3R,4R)-4-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]cyclopentyl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-[9-[(1R,2S,3R,4R)-4-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]cyclopentyl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide?
The canonical SMILES for N-[9-[(1R,2S,3R,4R)-4-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]cyclopentyl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide is COc1ccc(C(OC[C@H]2C[C@@H](n3cnc4c(=O)[nH]c(NC(=O)C(C)C)nc43)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O[Si](C)(C)C(C)(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of N-[9-[(1R,2S,3R,4R)-4-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]cyclopentyl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide?
The InChIKey is XSPZALYEKULKBJ-OMUBYBRZSA-N. The full InChI is InChI=1S/C48H67N5O7Si2/c1-31(2)43(54)51-45-50-42-39(44(55)52-45)49-30-53(42)38-28-32(40(59-61(11,12)46(3,4)5)41(38)60-62(13,14)47(6,7)8)29-58-48(33-18-16-15-17-19-33,34-20-24-36(56-9)25-21-34)35-22-26-37(57-10)27-23-35/h15-27,30-32,38,40-41H,28-29H2,1-14H3,(H2,50,51,52,54,55)/t32-,38-,40-,41+/m1/s1.
What are the key properties of N-[9-[(1R,2S,3R,4R)-4-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]cyclopentyl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide?
N-[9-[(1R,2S,3R,4R)-4-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]cyclopentyl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide has a molecular weight of 882.26 g/mol, XLogP of 10.08, 15 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[9-[(1R,2S,3R,4R)-4-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]cyclopentyl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide is sourced from PubChem (CID 155685279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).