N-[3-[4-[butoxy-[di(propan-2-yl)amino]phosphanyl]oxy-5-(deuteriomethyl)-3-methoxyoxolan-2-yl]-7-oxo-6H-imidazo[4,5-b]pyridin-5-yl]-2-(4-propan-2-ylphenoxy)acetamide

C33H50N5O7P — CID 161052300

IUPACN-[3-[4-[butoxy-[di(propan-2-yl)amino]phosphanyl]oxy-5-(deuteriomethyl)-3-methoxyoxolan-2-yl]-7-oxo-6H-imidazo[4,5-b]pyridin-5-yl]-2-(4-propan-2-ylphenoxy)acetamide
SMILES[2H]CC1OC(n2cnc3c2N=C(NC(=O)COc2ccc(C(C)C)cc2)CC3=O)C(OC)C1OP(OCCCC)N(C(C)C)C(C)C
InChIInChI=1S/C33H50N5O7P/c1-10-11-16-43-46(38(21(4)5)22(6)7)45-30-23(8)44-33(31(30)41-9)37-19-34-29-26(39)17-27(36-32(29)37)35-28(40)18-42-25-14-12-24(13-15-25)20(2)3/h12-15,19-23,30-31,33H,10-11,16-18H2,1-9H3,(H,35,36,40)/i8D
InChIKeyIBTJDIFUBJLWNJ-BNEYPBHNSA-N
MW660.77 g/mol
LogP6.30
Rot. Bonds16

About N-[3-[4-[butoxy-[di(propan-2-yl)amino]phosphanyl]oxy-5-(deuteriomethyl)-3-methoxyoxolan-2-yl]-7-oxo-6H-imidazo[4,5-b]pyridin-5-yl]-2-(4-propan-2-ylphenoxy)acetamide

N-[3-[4-[butoxy-[di(propan-2-yl)amino]phosphanyl]oxy-5-(deuteriomethyl)-3-methoxyoxolan-2-yl]-7-oxo-6H-imidazo[4,5-b]pyridin-5-yl]-2-(4-propan-2-ylphenoxy)acetamide (PubChem CID 161052300) has the molecular formula C33H50N5O7P and a molecular weight of 660.77 g/mol. Its IUPAC name is N-[3-[4-[butoxy-[di(propan-2-yl)amino]phosphanyl]oxy-5-(deuteriomethyl)-3-methoxyoxolan-2-yl]-7-oxo-6H-imidazo[4,5-b]pyridin-5-yl]-2-(4-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-[3-[4-[butoxy-[di(propan-2-yl)amino]phosphanyl]oxy-5-(deuteriomethyl)-3-methoxyoxolan-2-yl]-7-oxo-6H-imidazo[4,5-b]pyridin-5-yl]-2-(4-propan-2-ylphenoxy)acetamide
PubChem CID161052300
Molecular FormulaC33H50N5O7P
Molecular Weight660.77 g/mol
Exact Mass660.35
IUPAC NameN-[3-[4-[butoxy-[di(propan-2-yl)amino]phosphanyl]oxy-5-(deuteriomethyl)-3-methoxyoxolan-2-yl]-7-oxo-6H-imidazo[4,5-b]pyridin-5-yl]-2-(4-propan-2-ylphenoxy)acetamide
SMILES[2H]CC1OC(n2cnc3c2N=C(NC(=O)COc2ccc(C(C)C)cc2)CC3=O)C(OC)C1OP(OCCCC)N(C(C)C)C(C)C
InChIInChI=1S/C33H50N5O7P/c1-10-11-16-43-46(38(21(4)5)22(6)7)45-30-23(8)44-33(31(30)41-9)37-19-34-29-26(39)17-27(36-32(29)37)35-28(40)18-42-25-14-12-24(13-15-25)20(2)3/h12-15,19-23,30-31,33H,10-11,16-18H2,1-9H3,(H,35,36,40)/i8D
InChIKeyIBTJDIFUBJLWNJ-BNEYPBHNSA-N
XLogP6.30
TPSA125.74 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds16
Heavy Atoms46
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500660.77
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze N-[3-[4-[butoxy-[di(propan-2-yl)amino]phosphanyl]oxy-5-(deuteriomethyl)-3-methoxyoxolan-2-yl]-7-oxo-6H-imidazo[4,5-b]pyridin-5-yl]-2-(4-propan-2-ylphenoxy)acetamide with MolForge

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Related Compounds

N-[3-[5-(deuteriomethyl)-4-[[di(propan-2-yl)amino]-methylphosphanyl]oxy-3-methoxyoxolan-2-yl]-7-oxo-6H-imidazo[4,5-b]pyridin-5-yl]-2-methylpropanamide
CID 157154343
N-[9-[(2R,3S,5R)-4-[4-(tert-butyldisulfanyl)butoxy-[di(propan-2-yl)amino]phosphanyl]oxy-5-(deuteriomethyl)-3-methoxyoxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-(4-propan-2-ylphenoxy)acetamide;tritiooxymethane
CID 158375577
N-[9-[(2R,3R,4R,5R)-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-5-(deuteriomethyl)-3-methoxyoxolan-2-yl]purin-6-yl]benzamide
CID 160788681
N-[but-3-ynoxy-[2-(deuteriomethyl)-4-methoxy-5-(6-methylpurin-9-yl)oxolan-3-yl]oxyphosphanyl]-N-propan-2-ylpropan-2-amine;tritiooxymethane
CID 161394668
N-[1-[(2R,3S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-3-methoxyoxolan-2-yl]-2-oxopyrimidin-4-yl]-2-(4-tert-butylphenoxy)acetamide
CID 168510636
N-[9-[(2R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyoxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-(4-propan-2-ylphenoxy)acetamide
CID 172642916
N-[9-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyoxolan-2-yl]purin-6-yl]-2-(4-propan-2-ylphenoxy)acetamide
CID 101131138
N-[4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]phenyl]butanamide
CID 17202439
N-butyl-2-(4-propan-2-ylphenoxy)acetamide
CID 17142930
N-[1-[(2R,4S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(deuteriomethyl)-4-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyoxolan-2-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide;tritiooxymethane
CID 160612711
2-[4-[(2R)-butan-2-yl]phenoxy]-N-(4-butoxyphenyl)acetamide
CID 9319776
3-[(2R,6S)-6-(deuteriomethyl)-6-[[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxymethyl]-4-propan-2-ylmorpholin-2-yl]-5-methyl-6H-imidazo[4,5-b]pyridin-7-one
CID 160648438

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[butoxy-[di(propan-2-yl)amino]phosphanyl]oxy-5-(deuteriomethyl)-3-methoxyoxolan-2-yl]-7-oxo-6H-imidazo[4,5-b]pyridin-5-yl]-2-(4-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-[3-[4-[butoxy-[di(propan-2-yl)amino]phosphanyl]oxy-5-(deuteriomethyl)-3-methoxyoxolan-2-yl]-7-oxo-6H-imidazo[4,5-b]pyridin-5-yl]-2-(4-propan-2-ylphenoxy)acetamide (CID 161052300) is N-[3-[4-[butoxy-[di(propan-2-yl)amino]phosphanyl]oxy-5-(deuteriomethyl)-3-methoxyoxolan-2-yl]-7-oxo-6H-imidazo[4,5-b]pyridin-5-yl]-2-(4-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-[3-[4-[butoxy-[di(propan-2-yl)amino]phosphanyl]oxy-5-(deuteriomethyl)-3-methoxyoxolan-2-yl]-7-oxo-6H-imidazo[4,5-b]pyridin-5-yl]-2-(4-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-[3-[4-[butoxy-[di(propan-2-yl)amino]phosphanyl]oxy-5-(deuteriomethyl)-3-methoxyoxolan-2-yl]-7-oxo-6H-imidazo[4,5-b]pyridin-5-yl]-2-(4-propan-2-ylphenoxy)acetamide is [2H]CC1OC(n2cnc3c2N=C(NC(=O)COc2ccc(C(C)C)cc2)CC3=O)C(OC)C1OP(OCCCC)N(C(C)C)C(C)C.
What is the InChIKey of N-[3-[4-[butoxy-[di(propan-2-yl)amino]phosphanyl]oxy-5-(deuteriomethyl)-3-methoxyoxolan-2-yl]-7-oxo-6H-imidazo[4,5-b]pyridin-5-yl]-2-(4-propan-2-ylphenoxy)acetamide?
The InChIKey is IBTJDIFUBJLWNJ-BNEYPBHNSA-N. The full InChI is InChI=1S/C33H50N5O7P/c1-10-11-16-43-46(38(21(4)5)22(6)7)45-30-23(8)44-33(31(30)41-9)37-19-34-29-26(39)17-27(36-32(29)37)35-28(40)18-42-25-14-12-24(13-15-25)20(2)3/h12-15,19-23,30-31,33H,10-11,16-18H2,1-9H3,(H,35,36,40)/i8D.
What are the key properties of N-[3-[4-[butoxy-[di(propan-2-yl)amino]phosphanyl]oxy-5-(deuteriomethyl)-3-methoxyoxolan-2-yl]-7-oxo-6H-imidazo[4,5-b]pyridin-5-yl]-2-(4-propan-2-ylphenoxy)acetamide?
N-[3-[4-[butoxy-[di(propan-2-yl)amino]phosphanyl]oxy-5-(deuteriomethyl)-3-methoxyoxolan-2-yl]-7-oxo-6H-imidazo[4,5-b]pyridin-5-yl]-2-(4-propan-2-ylphenoxy)acetamide has a molecular weight of 660.77 g/mol, XLogP of 6.30, 16 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[butoxy-[di(propan-2-yl)amino]phosphanyl]oxy-5-(deuteriomethyl)-3-methoxyoxolan-2-yl]-7-oxo-6H-imidazo[4,5-b]pyridin-5-yl]-2-(4-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 161052300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).