boranuide;2-[[6-chloro-2-iodo-5-(4-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane;3-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]benzoic acid;methyl 3-[6-chloro-5-(4-morpholin-4-ylphenyl)-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxybenzoate;methyl 3-hydroxybenzoate

C83H94BCl3IN12O14Si2- — CID 161288361

IUPACboranuide;2-[[6-chloro-2-iodo-5-(4-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane;3-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]benzoic acid;methyl 3-[6-chloro-5-(4-morpholin-4-ylphenyl)-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxybenzoate;methyl 3-hydroxybenzoate
SMILESCOC(=O)c1cccc(O)c1.COC(=O)c1cccc(Oc2nc3cc(Cl)c(-c4ccc(N5CCOCC5)cc4)nc3n2COCC[Si](C)(C)C)c1.C[Si](C)(C)CCOCn1c(I)nc2cc(Cl)c(-c3ccc(N4CCOCC4)cc3)nc21.O=C(O)c1cccc(Oc2nc3nc(-c4ccc(N5CCOCC5)cc4)c(Cl)cc3[nH]2)c1.[BH4-]
InChIInChI=1S/C30H35ClN4O5Si.C23H19ClN4O4.C22H28ClIN4O2Si.C8H8O3.BH4/c1-37-29(36)22-6-5-7-24(18-22)40-30-32-26-19-25(31)27(33-28(26)35(30)20-39-16-17-41(2,3)4)21-8-10-23(11-9-21)34-12-14-38-15-13-34;24-18-13-19-21(27-23(25-19)32-17-3-1-2-15(12-17)22(29)30)26-20(18)14-4-6-16(7-5-14)28-8-10-31-11-9-28;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;1-11-8(10)6-3-2-4-7(9)5-6;/h5-11,18-19H,12-17,20H2,1-4H3;1-7,12-13H,8-11H2,(H,29,30)(H,25,26,27);4-7,14H,8-13,15H2,1-3H3;2-5,9H,1H3;1H4/q;;;;-1
InChIKeyVGAFEMYLFAHXHI-UHFFFAOYSA-N
MW1783.98 g/mol
LogP16.32
Rot. Bonds23

About boranuide;2-[[6-chloro-2-iodo-5-(4-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane;3-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]benzoic acid;methyl 3-[6-chloro-5-(4-morpholin-4-ylphenyl)-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxybenzoate;methyl 3-hydroxybenzoate

boranuide;2-[[6-chloro-2-iodo-5-(4-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane;3-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]benzoic acid;methyl 3-[6-chloro-5-(4-morpholin-4-ylphenyl)-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxybenzoate;methyl 3-hydroxybenzoate (PubChem CID 161288361) has the molecular formula C83H94BCl3IN12O14Si2- and a molecular weight of 1783.98 g/mol. Its IUPAC name is boranuide;2-[[6-chloro-2-iodo-5-(4-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane;3-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]benzoic acid;methyl 3-[6-chloro-5-(4-morpholin-4-ylphenyl)-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxybenzoate;methyl 3-hydroxybenzoate.

Molecular Properties

Compound Nameboranuide;2-[[6-chloro-2-iodo-5-(4-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane;3-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]benzoic acid;methyl 3-[6-chloro-5-(4-morpholin-4-ylphenyl)-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxybenzoate;methyl 3-hydroxybenzoate
PubChem CID161288361
Molecular FormulaC83H94BCl3IN12O14Si2-
Molecular Weight1783.98 g/mol
Exact Mass1781.48
IUPAC Nameboranuide;2-[[6-chloro-2-iodo-5-(4-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane;3-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]benzoic acid;methyl 3-[6-chloro-5-(4-morpholin-4-ylphenyl)-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxybenzoate;methyl 3-hydroxybenzoate
SMILESCOC(=O)c1cccc(O)c1.COC(=O)c1cccc(Oc2nc3cc(Cl)c(-c4ccc(N5CCOCC5)cc4)nc3n2COCC[Si](C)(C)C)c1.C[Si](C)(C)CCOCn1c(I)nc2cc(Cl)c(-c3ccc(N4CCOCC4)cc3)nc21.O=C(O)c1cccc(Oc2nc3nc(-c4ccc(N5CCOCC5)cc4)c(Cl)cc3[nH]2)c1.[BH4-]
InChIInChI=1S/C30H35ClN4O5Si.C23H19ClN4O4.C22H28ClIN4O2Si.C8H8O3.BH4/c1-37-29(36)22-6-5-7-24(18-22)40-30-32-26-19-25(31)27(33-28(26)35(30)20-39-16-17-41(2,3)4)21-8-10-23(11-9-21)34-12-14-38-15-13-34;24-18-13-19-21(27-23(25-19)32-17-3-1-2-15(12-17)22(29)30)26-20(18)14-4-6-16(7-5-14)28-8-10-31-11-9-28;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;1-11-8(10)6-3-2-4-7(9)5-6;/h5-11,18-19H,12-17,20H2,1-4H3;1-7,12-13H,8-11H2,(H,29,30)(H,25,26,27);4-7,14H,8-13,15H2,1-3H3;2-5,9H,1H3;1H4/q;;;;-1
InChIKeyVGAFEMYLFAHXHI-UHFFFAOYSA-N
XLogP16.32
TPSA287.45 Ų
H-Bond Donors3
H-Bond Acceptors24
Rotatable Bonds23
Heavy Atoms116
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001783.98
LogP ≤ 516.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1024

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 boranuide;2-[[6-chloro-2-iodo-5-(4-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane;3-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]benzoic acid;methyl 3-[6-chloro-5-(4-morpholin-4-ylphenyl)-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxybenzoate;methyl 3-hydroxybenzoate with MolForge

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Related Compounds

5-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-fluorobenzoic acid
CID 89696531
5-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-methylbenzoic acid
CID 56924642
3-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]benzoic acid
CID 56932844
Methyl 3-[6-chloro-5-(4-morpholin-4-ylphenyl)-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxybenzoate
CID 89696267
3-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-4-methylbenzoic acid
CID 89696402
5-[[6-chloro-5-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-methylbenzoic acid
CID 89696535
2-chloro-5-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]benzoic acid
CID 89696549
5-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-ethylbenzoic acid
CID 89696604
2-[[6-chloro-2-iodo-5-(4-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane;N-[2-[4-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]phenyl]propan-2-yl]acetamide;N-[2-[4-[6-chloro-5-(4-morpholin-4-ylphenyl)-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxyphenyl]propan-2-yl]acetamide;N-[2-(4-hydroxyphenyl)propan-2-yl]acetamide
CID 158500235
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
5-[(5-benzyl-6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)oxy]-2-methylbenzoic acid;5-[[6-chloro-5-(2-phenylethyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-methylbenzoic acid;2-methyl-5-[[5-methyl-6-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]benzoic acid
CID 159253088
tert-butyl 5-[6-chloro-5-(4-morpholin-4-ylphenyl)-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxy-2-methylbenzoate;tert-butyl 5-[5,6-dichloro-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxy-2-methylbenzoate;tert-butyl 5-hydroxy-2-methylbenzoate;6-chloro-3-nitropyridin-2-amine;5,6-dichloro-1H-imidazo[4,5-b]pyridine;2-[(5,6-dichloroimidazo[4,5-b]pyridin-3-yl)methoxy]ethyl-trimethylsilane;2-[(5,6-dichloro-2-iodoimidazo[4,5-b]pyridin-3-yl)methoxy]ethyl-trimethylsilane;5,6-dichloro-3-nitropyridin-2-amine;5,6-dichloropyridine-2,3-diamine;(4-morpholin-4-ylphenyl)boronic acid;sulfamic acid
CID 160901507

Frequently Asked Questions

What is the IUPAC name of boranuide;2-[[6-chloro-2-iodo-5-(4-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane;3-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]benzoic acid;methyl 3-[6-chloro-5-(4-morpholin-4-ylphenyl)-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxybenzoate;methyl 3-hydroxybenzoate?
The IUPAC name of boranuide;2-[[6-chloro-2-iodo-5-(4-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane;3-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]benzoic acid;methyl 3-[6-chloro-5-(4-morpholin-4-ylphenyl)-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxybenzoate;methyl 3-hydroxybenzoate (CID 161288361) is boranuide;2-[[6-chloro-2-iodo-5-(4-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane;3-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]benzoic acid;methyl 3-[6-chloro-5-(4-morpholin-4-ylphenyl)-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxybenzoate;methyl 3-hydroxybenzoate.
What is the SMILES notation for boranuide;2-[[6-chloro-2-iodo-5-(4-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane;3-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]benzoic acid;methyl 3-[6-chloro-5-(4-morpholin-4-ylphenyl)-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxybenzoate;methyl 3-hydroxybenzoate?
The canonical SMILES for boranuide;2-[[6-chloro-2-iodo-5-(4-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane;3-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]benzoic acid;methyl 3-[6-chloro-5-(4-morpholin-4-ylphenyl)-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxybenzoate;methyl 3-hydroxybenzoate is COC(=O)c1cccc(O)c1.COC(=O)c1cccc(Oc2nc3cc(Cl)c(-c4ccc(N5CCOCC5)cc4)nc3n2COCC[Si](C)(C)C)c1.C[Si](C)(C)CCOCn1c(I)nc2cc(Cl)c(-c3ccc(N4CCOCC4)cc3)nc21.O=C(O)c1cccc(Oc2nc3nc(-c4ccc(N5CCOCC5)cc4)c(Cl)cc3[nH]2)c1.[BH4-].
What is the InChIKey of boranuide;2-[[6-chloro-2-iodo-5-(4-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane;3-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]benzoic acid;methyl 3-[6-chloro-5-(4-morpholin-4-ylphenyl)-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxybenzoate;methyl 3-hydroxybenzoate?
The InChIKey is VGAFEMYLFAHXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35ClN4O5Si.C23H19ClN4O4.C22H28ClIN4O2Si.C8H8O3.BH4/c1-37-29(36)22-6-5-7-24(18-22)40-30-32-26-19-25(31)27(33-28(26)35(30)20-39-16-17-41(2,3)4)21-8-10-23(11-9-21)34-12-14-38-15-13-34;24-18-13-19-21(27-23(25-19)32-17-3-1-2-15(12-17)22(29)30)26-20(18)14-4-6-16(7-5-14)28-8-10-31-11-9-28;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;1-11-8(10)6-3-2-4-7(9)5-6;/h5-11,18-19H,12-17,20H2,1-4H3;1-7,12-13H,8-11H2,(H,29,30)(H,25,26,27);4-7,14H,8-13,15H2,1-3H3;2-5,9H,1H3;1H4/q;;;;-1.
What are the key properties of boranuide;2-[[6-chloro-2-iodo-5-(4-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane;3-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]benzoic acid;methyl 3-[6-chloro-5-(4-morpholin-4-ylphenyl)-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxybenzoate;methyl 3-hydroxybenzoate?
boranuide;2-[[6-chloro-2-iodo-5-(4-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane;3-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]benzoic acid;methyl 3-[6-chloro-5-(4-morpholin-4-ylphenyl)-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxybenzoate;methyl 3-hydroxybenzoate has a molecular weight of 1783.98 g/mol, XLogP of 16.32, 23 rotatable bonds, 3 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for boranuide;2-[[6-chloro-2-iodo-5-(4-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane;3-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]benzoic acid;methyl 3-[6-chloro-5-(4-morpholin-4-ylphenyl)-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxybenzoate;methyl 3-hydroxybenzoate is sourced from PubChem (CID 161288361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).