2-[[6-chloro-2-iodo-5-(4-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane;N-[2-[5-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-pyridinyl]propan-2-yl]acetamide;N-[2-[5-[6-chloro-5-(4-morpholin-4-ylphenyl)-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxy-2-pyridinyl]propan-2-yl]acetamide;deuteride;N-[2-(5-hydroxy-2-pyridinyl)propan-2-yl]acetamide

C90H111Cl3IN18O11Si2- — CID 158915380

IUPAC2-[[6-chloro-2-iodo-5-(4-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane;N-[2-[5-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-pyridinyl]propan-2-yl]acetamide;N-[2-[5-[6-chloro-5-(4-morpholin-4-ylphenyl)-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxy-2-pyridinyl]propan-2-yl]acetamide;deuteride;N-[2-(5-hydroxy-2-pyridinyl)propan-2-yl]acetamide
SMILESCC(=O)NC(C)(C)c1ccc(O)cn1.CC(=O)NC(C)(C)c1ccc(Oc2nc3cc(Cl)c(-c4ccc(N5CCOCC5)cc4)nc3n2COCC[Si](C)(C)C)cn1.CC(=O)NC(C)(C)c1ccc(Oc2nc3nc(-c4ccc(N5CCOCC5)cc4)c(Cl)cc3[nH]2)cn1.C[Si](C)(C)CCOCn1c(I)nc2cc(Cl)c(-c3ccc(N4CCOCC4)cc3)nc21.[2H-]
InChIInChI=1S/C32H41ClN6O4Si.C26H27ClN6O3.C22H28ClIN4O2Si.C10H14N2O2.H/c1-22(40)37-32(2,3)28-12-11-25(20-34-28)43-31-35-27-19-26(33)29(36-30(27)39(31)21-42-17-18-44(4,5)6)23-7-9-24(10-8-23)38-13-15-41-16-14-38;1-16(34)32-26(2,3)22-9-8-19(15-28-22)36-25-29-21-14-20(27)23(30-24(21)31-25)17-4-6-18(7-5-17)33-10-12-35-13-11-33;1-31(2,3)13-12-30-15-28-21-19(25-22(28)24)14-18(23)20(26-21)16-4-6-17(7-5-16)27-8-10-29-11-9-27;1-7(13)12-10(2,3)9-5-4-8(14)6-11-9;/h7-12,19-20H,13-18,21H2,1-6H3,(H,37,40);4-9,14-15H,10-13H2,1-3H3,(H,32,34)(H,29,30,31);4-7,14H,8-13,15H2,1-3H3;4-6,14H,1-3H3,(H,12,13);/q;;;;-1/i;;;;1+1
InChIKeyJHDXMVQPIHVEEI-RCUQKECRSA-N
MW1911.43 g/mol
LogP17.91
Rot. Bonds26

About 2-[[6-chloro-2-iodo-5-(4-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane;N-[2-[5-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-pyridinyl]propan-2-yl]acetamide;N-[2-[5-[6-chloro-5-(4-morpholin-4-ylphenyl)-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxy-2-pyridinyl]propan-2-yl]acetamide;deuteride;N-[2-(5-hydroxy-2-pyridinyl)propan-2-yl]acetamide

2-[[6-chloro-2-iodo-5-(4-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane;N-[2-[5-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-pyridinyl]propan-2-yl]acetamide;N-[2-[5-[6-chloro-5-(4-morpholin-4-ylphenyl)-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxy-2-pyridinyl]propan-2-yl]acetamide;deuteride;N-[2-(5-hydroxy-2-pyridinyl)propan-2-yl]acetamide (PubChem CID 158915380) has the molecular formula C90H111Cl3IN18O11Si2- and a molecular weight of 1911.43 g/mol. Its IUPAC name is 2-[[6-chloro-2-iodo-5-(4-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane;N-[2-[5-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-pyridinyl]propan-2-yl]acetamide;N-[2-[5-[6-chloro-5-(4-morpholin-4-ylphenyl)-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxy-2-pyridinyl]propan-2-yl]acetamide;deuteride;N-[2-(5-hydroxy-2-pyridinyl)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-[[6-chloro-2-iodo-5-(4-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane;N-[2-[5-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-pyridinyl]propan-2-yl]acetamide;N-[2-[5-[6-chloro-5-(4-morpholin-4-ylphenyl)-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxy-2-pyridinyl]propan-2-yl]acetamide;deuteride;N-[2-(5-hydroxy-2-pyridinyl)propan-2-yl]acetamide
PubChem CID158915380
Molecular FormulaC90H111Cl3IN18O11Si2-
Molecular Weight1911.43 g/mol
Exact Mass1908.64
IUPAC Name2-[[6-chloro-2-iodo-5-(4-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane;N-[2-[5-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-pyridinyl]propan-2-yl]acetamide;N-[2-[5-[6-chloro-5-(4-morpholin-4-ylphenyl)-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxy-2-pyridinyl]propan-2-yl]acetamide;deuteride;N-[2-(5-hydroxy-2-pyridinyl)propan-2-yl]acetamide
SMILESCC(=O)NC(C)(C)c1ccc(O)cn1.CC(=O)NC(C)(C)c1ccc(Oc2nc3cc(Cl)c(-c4ccc(N5CCOCC5)cc4)nc3n2COCC[Si](C)(C)C)cn1.CC(=O)NC(C)(C)c1ccc(Oc2nc3nc(-c4ccc(N5CCOCC5)cc4)c(Cl)cc3[nH]2)cn1.C[Si](C)(C)CCOCn1c(I)nc2cc(Cl)c(-c3ccc(N4CCOCC4)cc3)nc21.[2H-]
InChIInChI=1S/C32H41ClN6O4Si.C26H27ClN6O3.C22H28ClIN4O2Si.C10H14N2O2.H/c1-22(40)37-32(2,3)28-12-11-25(20-34-28)43-31-35-27-19-26(33)29(36-30(27)39(31)21-42-17-18-44(4,5)6)23-7-9-24(10-8-23)38-13-15-41-16-14-38;1-16(34)32-26(2,3)22-9-8-19(15-28-22)36-25-29-21-14-20(27)23(30-24(21)31-25)17-4-6-18(7-5-17)33-10-12-35-13-11-33;1-31(2,3)13-12-30-15-28-21-19(25-22(28)24)14-18(23)20(26-21)16-4-6-17(7-5-16)27-8-10-29-11-9-27;1-7(13)12-10(2,3)9-5-4-8(14)6-11-9;/h7-12,19-20H,13-18,21H2,1-6H3,(H,37,40);4-9,14-15H,10-13H2,1-3H3,(H,32,34)(H,29,30,31);4-7,14H,8-13,15H2,1-3H3;4-6,14H,1-3H3,(H,12,13);/q;;;;-1/i;;;;1+1
InChIKeyJHDXMVQPIHVEEI-RCUQKECRSA-N
XLogP17.91
TPSA323.52 Ų
H-Bond Donors5
H-Bond Acceptors25
Rotatable Bonds26
Heavy Atoms125
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001911.43
LogP ≤ 517.91
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

Analyze 2-[[6-chloro-2-iodo-5-(4-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane;N-[2-[5-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-pyridinyl]propan-2-yl]acetamide;N-[2-[5-[6-chloro-5-(4-morpholin-4-ylphenyl)-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxy-2-pyridinyl]propan-2-yl]acetamide;deuteride;N-[2-(5-hydroxy-2-pyridinyl)propan-2-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-chloro-2-iodo-5-(4-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane;N-[2-[5-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-pyridinyl]propan-2-yl]acetamide;N-[2-[5-[6-chloro-5-(4-morpholin-4-ylphenyl)-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxy-2-pyridinyl]propan-2-yl]acetamide;deuteride;N-[2-(5-hydroxy-2-pyridinyl)propan-2-yl]acetamide?
The IUPAC name of 2-[[6-chloro-2-iodo-5-(4-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane;N-[2-[5-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-pyridinyl]propan-2-yl]acetamide;N-[2-[5-[6-chloro-5-(4-morpholin-4-ylphenyl)-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxy-2-pyridinyl]propan-2-yl]acetamide;deuteride;N-[2-(5-hydroxy-2-pyridinyl)propan-2-yl]acetamide (CID 158915380) is 2-[[6-chloro-2-iodo-5-(4-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane;N-[2-[5-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-pyridinyl]propan-2-yl]acetamide;N-[2-[5-[6-chloro-5-(4-morpholin-4-ylphenyl)-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxy-2-pyridinyl]propan-2-yl]acetamide;deuteride;N-[2-(5-hydroxy-2-pyridinyl)propan-2-yl]acetamide.
What is the SMILES notation for 2-[[6-chloro-2-iodo-5-(4-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane;N-[2-[5-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-pyridinyl]propan-2-yl]acetamide;N-[2-[5-[6-chloro-5-(4-morpholin-4-ylphenyl)-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxy-2-pyridinyl]propan-2-yl]acetamide;deuteride;N-[2-(5-hydroxy-2-pyridinyl)propan-2-yl]acetamide?
The canonical SMILES for 2-[[6-chloro-2-iodo-5-(4-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane;N-[2-[5-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-pyridinyl]propan-2-yl]acetamide;N-[2-[5-[6-chloro-5-(4-morpholin-4-ylphenyl)-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxy-2-pyridinyl]propan-2-yl]acetamide;deuteride;N-[2-(5-hydroxy-2-pyridinyl)propan-2-yl]acetamide is CC(=O)NC(C)(C)c1ccc(O)cn1.CC(=O)NC(C)(C)c1ccc(Oc2nc3cc(Cl)c(-c4ccc(N5CCOCC5)cc4)nc3n2COCC[Si](C)(C)C)cn1.CC(=O)NC(C)(C)c1ccc(Oc2nc3nc(-c4ccc(N5CCOCC5)cc4)c(Cl)cc3[nH]2)cn1.C[Si](C)(C)CCOCn1c(I)nc2cc(Cl)c(-c3ccc(N4CCOCC4)cc3)nc21.[2H-].
What is the InChIKey of 2-[[6-chloro-2-iodo-5-(4-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane;N-[2-[5-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-pyridinyl]propan-2-yl]acetamide;N-[2-[5-[6-chloro-5-(4-morpholin-4-ylphenyl)-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxy-2-pyridinyl]propan-2-yl]acetamide;deuteride;N-[2-(5-hydroxy-2-pyridinyl)propan-2-yl]acetamide?
The InChIKey is JHDXMVQPIHVEEI-RCUQKECRSA-N. The full InChI is InChI=1S/C32H41ClN6O4Si.C26H27ClN6O3.C22H28ClIN4O2Si.C10H14N2O2.H/c1-22(40)37-32(2,3)28-12-11-25(20-34-28)43-31-35-27-19-26(33)29(36-30(27)39(31)21-42-17-18-44(4,5)6)23-7-9-24(10-8-23)38-13-15-41-16-14-38;1-16(34)32-26(2,3)22-9-8-19(15-28-22)36-25-29-21-14-20(27)23(30-24(21)31-25)17-4-6-18(7-5-17)33-10-12-35-13-11-33;1-31(2,3)13-12-30-15-28-21-19(25-22(28)24)14-18(23)20(26-21)16-4-6-17(7-5-16)27-8-10-29-11-9-27;1-7(13)12-10(2,3)9-5-4-8(14)6-11-9;/h7-12,19-20H,13-18,21H2,1-6H3,(H,37,40);4-9,14-15H,10-13H2,1-3H3,(H,32,34)(H,29,30,31);4-7,14H,8-13,15H2,1-3H3;4-6,14H,1-3H3,(H,12,13);/q;;;;-1/i;;;;1+1.
What are the key properties of 2-[[6-chloro-2-iodo-5-(4-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane;N-[2-[5-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-pyridinyl]propan-2-yl]acetamide;N-[2-[5-[6-chloro-5-(4-morpholin-4-ylphenyl)-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxy-2-pyridinyl]propan-2-yl]acetamide;deuteride;N-[2-(5-hydroxy-2-pyridinyl)propan-2-yl]acetamide?
2-[[6-chloro-2-iodo-5-(4-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane;N-[2-[5-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-pyridinyl]propan-2-yl]acetamide;N-[2-[5-[6-chloro-5-(4-morpholin-4-ylphenyl)-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxy-2-pyridinyl]propan-2-yl]acetamide;deuteride;N-[2-(5-hydroxy-2-pyridinyl)propan-2-yl]acetamide has a molecular weight of 1911.43 g/mol, XLogP of 17.91, 26 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-chloro-2-iodo-5-(4-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane;N-[2-[5-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-pyridinyl]propan-2-yl]acetamide;N-[2-[5-[6-chloro-5-(4-morpholin-4-ylphenyl)-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxy-2-pyridinyl]propan-2-yl]acetamide;deuteride;N-[2-(5-hydroxy-2-pyridinyl)propan-2-yl]acetamide is sourced from PubChem (CID 158915380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).