tert-butyl-[4-[3-cyclohexyl-6-[1-(2-isocyanoethyl)tetrazol-5-yl]imidazo[4,5-b]pyridin-2-yl]phenoxy]-dimethylsilane;2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-cyclohexyl-N-(2-isocyanoethyl)imidazo[4,5-b]pyridine-6-carboxamide;6-chloro-5-nitropyridine-3-carboxylic acid;6-(cyclohexylamino)-5-nitropyridine-3-carboxylic acid;3-cyclohexyl-2-(4-hydroxyphenyl)-N-(2-isocyanoethyl)imidazo[4,5-b]pyridine-6-carboxamide;4-[3-cyclohexyl-6-[1-(2-isocyanoethyl)tetrazol-5-yl]imidazo[4,5-b]pyridin-2-yl]phenol;3-[[4-[3-cyclohexyl-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]phenoxy]methyl]-4-(4-isocyanophenyl)-N-methylbenzamide;methyl 5-amino-6-(cyclohexylamino)pyridine-3-carboxylate;methyl 3-cyclohexyl-2-(4-hydroxyphenyl)imidazo[4,5-b]pyridine-6-carboxylate

C186H207ClN46O21Si2 — CID 160810797

IUPACtert-butyl-[4-[3-cyclohexyl-6-[1-(2-isocyanoethyl)tetrazol-5-yl]imidazo[4,5-b]pyridin-2-yl]phenoxy]-dimethylsilane;2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-cyclohexyl-N-(2-isocyanoethyl)imidazo[4,5-b]pyridine-6-carboxamide;6-chloro-5-nitropyridine-3-carboxylic acid;6-(cyclohexylamino)-5-nitropyridine-3-carboxylic acid;3-cyclohexyl-2-(4-hydroxyphenyl)-N-(2-isocyanoethyl)imidazo[4,5-b]pyridine-6-carboxamide;4-[3-cyclohexyl-6-[1-(2-isocyanoethyl)tetrazol-5-yl]imidazo[4,5-b]pyridin-2-yl]phenol;3-[[4-[3-cyclohexyl-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]phenoxy]methyl]-4-(4-isocyanophenyl)-N-methylbenzamide;methyl 5-amino-6-(cyclohexylamino)pyridine-3-carboxylate;methyl 3-cyclohexyl-2-(4-hydroxyphenyl)imidazo[4,5-b]pyridine-6-carboxylate
SMILESCOC(=O)c1cnc(NC2CCCCC2)c(N)c1.COC(=O)c1cnc2c(c1)nc(-c1ccc(O)cc1)n2C1CCCCC1.O=C(O)c1cnc(Cl)c([N+](=O)[O-])c1.O=C(O)c1cnc(NC2CCCCC2)c([N+](=O)[O-])c1.[C-]#[N+]CCNC(=O)c1cnc2c(c1)nc(-c1ccc(O)cc1)n2C1CCCCC1.[C-]#[N+]CCNC(=O)c1cnc2c(c1)nc(-c1ccc(O[Si](C)(C)C(C)(C)C)cc1)n2C1CCCCC1.[C-]#[N+]CCn1nnnc1-c1cnc2c(c1)nc(-c1ccc(O)cc1)n2C1CCCCC1.[C-]#[N+]CCn1nnnc1-c1cnc2c(c1)nc(-c1ccc(O[Si](C)(C)C(C)(C)C)cc1)n2C1CCCCC1.[C-]#[N+]c1ccc(-c2ccc(C(=O)NC)cc2COc2ccc(-c3nc4cc(-c5nn[nH]n5)cnc4n3C3CCCCC3)cc2)cc1
InChIInChI=1S/C35H31N9O2.C28H36N8OSi.C28H37N5O2Si.C22H22N8O.C22H23N5O2.C20H21N3O3.C13H19N3O2.C12H15N3O4.C6H3ClN2O4/c1-36-27-13-8-22(9-14-27)30-17-12-24(35(45)37-2)18-26(30)21-46-29-15-10-23(11-16-29)33-39-31-19-25(32-40-42-43-41-32)20-38-34(31)44(33)28-6-4-3-5-7-28;1-28(2,3)38(5,6)37-23-14-12-20(13-15-23)25-31-24-18-21(26-32-33-34-35(26)17-16-29-4)19-30-27(24)36(25)22-10-8-7-9-11-22;1-28(2,3)36(5,6)35-23-14-12-20(13-15-23)25-32-24-18-21(27(34)30-17-16-29-4)19-31-26(24)33(25)22-10-8-7-9-11-22;1-23-11-12-29-21(26-27-28-29)16-13-19-22(24-14-16)30(17-5-3-2-4-6-17)20(25-19)15-7-9-18(31)10-8-15;1-23-11-12-24-22(29)16-13-19-21(25-14-16)27(17-5-3-2-4-6-17)20(26-19)15-7-9-18(28)10-8-15;1-26-20(25)14-11-17-19(21-12-14)23(15-5-3-2-4-6-15)18(22-17)13-7-9-16(24)10-8-13;1-18-13(17)9-7-11(14)12(15-8-9)16-10-5-3-2-4-6-10;16-12(17)8-6-10(15(18)19)11(13-7-8)14-9-4-2-1-3-5-9;7-5-4(9(12)13)1-3(2-8-5)6(10)11/h8-20,28H,3-7,21H2,2H3,(H,37,45)(H,40,41,42,43);12-15,18-19,22H,7-11,16-17H2,1-3,5-6H3;12-15,18-19,22H,7-11,16-17H2,1-3,5-6H3,(H,30,34);7-10,13-14,17,31H,2-6,11-12H2;7-10,13-14,17,28H,2-6,11-12H2,(H,24,29);7-12,15,24H,2-6H2,1H3;7-8,10H,2-6,14H2,1H3,(H,15,16);6-7,9H,1-5H2,(H,13,14)(H,16,17);1-2H,(H,10,11)
InChIKeySEHFYYUSGZGZES-UHFFFAOYSA-N
MW3514.63 g/mol
LogP38.04
Rot. Bonds44

About tert-butyl-[4-[3-cyclohexyl-6-[1-(2-isocyanoethyl)tetrazol-5-yl]imidazo[4,5-b]pyridin-2-yl]phenoxy]-dimethylsilane;2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-cyclohexyl-N-(2-isocyanoethyl)imidazo[4,5-b]pyridine-6-carboxamide;6-chloro-5-nitropyridine-3-carboxylic acid;6-(cyclohexylamino)-5-nitropyridine-3-carboxylic acid;3-cyclohexyl-2-(4-hydroxyphenyl)-N-(2-isocyanoethyl)imidazo[4,5-b]pyridine-6-carboxamide;4-[3-cyclohexyl-6-[1-(2-isocyanoethyl)tetrazol-5-yl]imidazo[4,5-b]pyridin-2-yl]phenol;3-[[4-[3-cyclohexyl-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]phenoxy]methyl]-4-(4-isocyanophenyl)-N-methylbenzamide;methyl 5-amino-6-(cyclohexylamino)pyridine-3-carboxylate;methyl 3-cyclohexyl-2-(4-hydroxyphenyl)imidazo[4,5-b]pyridine-6-carboxylate

tert-butyl-[4-[3-cyclohexyl-6-[1-(2-isocyanoethyl)tetrazol-5-yl]imidazo[4,5-b]pyridin-2-yl]phenoxy]-dimethylsilane;2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-cyclohexyl-N-(2-isocyanoethyl)imidazo[4,5-b]pyridine-6-carboxamide;6-chloro-5-nitropyridine-3-carboxylic acid;6-(cyclohexylamino)-5-nitropyridine-3-carboxylic acid;3-cyclohexyl-2-(4-hydroxyphenyl)-N-(2-isocyanoethyl)imidazo[4,5-b]pyridine-6-carboxamide;4-[3-cyclohexyl-6-[1-(2-isocyanoethyl)tetrazol-5-yl]imidazo[4,5-b]pyridin-2-yl]phenol;3-[[4-[3-cyclohexyl-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]phenoxy]methyl]-4-(4-isocyanophenyl)-N-methylbenzamide;methyl 5-amino-6-(cyclohexylamino)pyridine-3-carboxylate;methyl 3-cyclohexyl-2-(4-hydroxyphenyl)imidazo[4,5-b]pyridine-6-carboxylate (PubChem CID 160810797) has the molecular formula C186H207ClN46O21Si2 and a molecular weight of 3514.63 g/mol. Its IUPAC name is tert-butyl-[4-[3-cyclohexyl-6-[1-(2-isocyanoethyl)tetrazol-5-yl]imidazo[4,5-b]pyridin-2-yl]phenoxy]-dimethylsilane;2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-cyclohexyl-N-(2-isocyanoethyl)imidazo[4,5-b]pyridine-6-carboxamide;6-chloro-5-nitropyridine-3-carboxylic acid;6-(cyclohexylamino)-5-nitropyridine-3-carboxylic acid;3-cyclohexyl-2-(4-hydroxyphenyl)-N-(2-isocyanoethyl)imidazo[4,5-b]pyridine-6-carboxamide;4-[3-cyclohexyl-6-[1-(2-isocyanoethyl)tetrazol-5-yl]imidazo[4,5-b]pyridin-2-yl]phenol;3-[[4-[3-cyclohexyl-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]phenoxy]methyl]-4-(4-isocyanophenyl)-N-methylbenzamide;methyl 5-amino-6-(cyclohexylamino)pyridine-3-carboxylate;methyl 3-cyclohexyl-2-(4-hydroxyphenyl)imidazo[4,5-b]pyridine-6-carboxylate.

Molecular Properties

Compound Nametert-butyl-[4-[3-cyclohexyl-6-[1-(2-isocyanoethyl)tetrazol-5-yl]imidazo[4,5-b]pyridin-2-yl]phenoxy]-dimethylsilane;2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-cyclohexyl-N-(2-isocyanoethyl)imidazo[4,5-b]pyridine-6-carboxamide;6-chloro-5-nitropyridine-3-carboxylic acid;6-(cyclohexylamino)-5-nitropyridine-3-carboxylic acid;3-cyclohexyl-2-(4-hydroxyphenyl)-N-(2-isocyanoethyl)imidazo[4,5-b]pyridine-6-carboxamide;4-[3-cyclohexyl-6-[1-(2-isocyanoethyl)tetrazol-5-yl]imidazo[4,5-b]pyridin-2-yl]phenol;3-[[4-[3-cyclohexyl-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]phenoxy]methyl]-4-(4-isocyanophenyl)-N-methylbenzamide;methyl 5-amino-6-(cyclohexylamino)pyridine-3-carboxylate;methyl 3-cyclohexyl-2-(4-hydroxyphenyl)imidazo[4,5-b]pyridine-6-carboxylate
PubChem CID160810797
Molecular FormulaC186H207ClN46O21Si2
Molecular Weight3514.63 g/mol
Exact Mass3511.58
IUPAC Nametert-butyl-[4-[3-cyclohexyl-6-[1-(2-isocyanoethyl)tetrazol-5-yl]imidazo[4,5-b]pyridin-2-yl]phenoxy]-dimethylsilane;2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-cyclohexyl-N-(2-isocyanoethyl)imidazo[4,5-b]pyridine-6-carboxamide;6-chloro-5-nitropyridine-3-carboxylic acid;6-(cyclohexylamino)-5-nitropyridine-3-carboxylic acid;3-cyclohexyl-2-(4-hydroxyphenyl)-N-(2-isocyanoethyl)imidazo[4,5-b]pyridine-6-carboxamide;4-[3-cyclohexyl-6-[1-(2-isocyanoethyl)tetrazol-5-yl]imidazo[4,5-b]pyridin-2-yl]phenol;3-[[4-[3-cyclohexyl-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]phenoxy]methyl]-4-(4-isocyanophenyl)-N-methylbenzamide;methyl 5-amino-6-(cyclohexylamino)pyridine-3-carboxylate;methyl 3-cyclohexyl-2-(4-hydroxyphenyl)imidazo[4,5-b]pyridine-6-carboxylate
SMILESCOC(=O)c1cnc(NC2CCCCC2)c(N)c1.COC(=O)c1cnc2c(c1)nc(-c1ccc(O)cc1)n2C1CCCCC1.O=C(O)c1cnc(Cl)c([N+](=O)[O-])c1.O=C(O)c1cnc(NC2CCCCC2)c([N+](=O)[O-])c1.[C-]#[N+]CCNC(=O)c1cnc2c(c1)nc(-c1ccc(O)cc1)n2C1CCCCC1.[C-]#[N+]CCNC(=O)c1cnc2c(c1)nc(-c1ccc(O[Si](C)(C)C(C)(C)C)cc1)n2C1CCCCC1.[C-]#[N+]CCn1nnnc1-c1cnc2c(c1)nc(-c1ccc(O)cc1)n2C1CCCCC1.[C-]#[N+]CCn1nnnc1-c1cnc2c(c1)nc(-c1ccc(O[Si](C)(C)C(C)(C)C)cc1)n2C1CCCCC1.[C-]#[N+]c1ccc(-c2ccc(C(=O)NC)cc2COc2ccc(-c3nc4cc(-c5nn[nH]n5)cnc4n3C3CCCCC3)cc2)cc1
InChIInChI=1S/C35H31N9O2.C28H36N8OSi.C28H37N5O2Si.C22H22N8O.C22H23N5O2.C20H21N3O3.C13H19N3O2.C12H15N3O4.C6H3ClN2O4/c1-36-27-13-8-22(9-14-27)30-17-12-24(35(45)37-2)18-26(30)21-46-29-15-10-23(11-16-29)33-39-31-19-25(32-40-42-43-41-32)20-38-34(31)44(33)28-6-4-3-5-7-28;1-28(2,3)38(5,6)37-23-14-12-20(13-15-23)25-31-24-18-21(26-32-33-34-35(26)17-16-29-4)19-30-27(24)36(25)22-10-8-7-9-11-22;1-28(2,3)36(5,6)35-23-14-12-20(13-15-23)25-32-24-18-21(27(34)30-17-16-29-4)19-31-26(24)33(25)22-10-8-7-9-11-22;1-23-11-12-29-21(26-27-28-29)16-13-19-22(24-14-16)30(17-5-3-2-4-6-17)20(25-19)15-7-9-18(31)10-8-15;1-23-11-12-24-22(29)16-13-19-21(25-14-16)27(17-5-3-2-4-6-17)20(26-19)15-7-9-18(28)10-8-15;1-26-20(25)14-11-17-19(21-12-14)23(15-5-3-2-4-6-15)18(22-17)13-7-9-16(24)10-8-13;1-18-13(17)9-7-11(14)12(15-8-9)16-10-5-3-2-4-6-10;16-12(17)8-6-10(15(18)19)11(13-7-8)14-9-4-2-1-3-5-9;7-5-4(9(12)13)1-3(2-8-5)6(10)11/h8-20,28H,3-7,21H2,2H3,(H,37,45)(H,40,41,42,43);12-15,18-19,22H,7-11,16-17H2,1-3,5-6H3;12-15,18-19,22H,7-11,16-17H2,1-3,5-6H3,(H,30,34);7-10,13-14,17,31H,2-6,11-12H2;7-10,13-14,17,28H,2-6,11-12H2,(H,24,29);7-12,15,24H,2-6H2,1H3;7-8,10H,2-6,14H2,1H3,(H,15,16);6-7,9H,1-5H2,(H,13,14)(H,16,17);1-2H,(H,10,11)
InChIKeySEHFYYUSGZGZES-UHFFFAOYSA-N
XLogP38.04
TPSA825.63 Ų
H-Bond Donors12
H-Bond Acceptors54
Rotatable Bonds44
Heavy Atoms256
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003514.63
LogP ≤ 538.04
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1054

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

Analyze tert-butyl-[4-[3-cyclohexyl-6-[1-(2-isocyanoethyl)tetrazol-5-yl]imidazo[4,5-b]pyridin-2-yl]phenoxy]-dimethylsilane;2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-cyclohexyl-N-(2-isocyanoethyl)imidazo[4,5-b]pyridine-6-carboxamide;6-chloro-5-nitropyridine-3-carboxylic acid;6-(cyclohexylamino)-5-nitropyridine-3-carboxylic acid;3-cyclohexyl-2-(4-hydroxyphenyl)-N-(2-isocyanoethyl)imidazo[4,5-b]pyridine-6-carboxamide;4-[3-cyclohexyl-6-[1-(2-isocyanoethyl)tetrazol-5-yl]imidazo[4,5-b]pyridin-2-yl]phenol;3-[[4-[3-cyclohexyl-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]phenoxy]methyl]-4-(4-isocyanophenyl)-N-methylbenzamide;methyl 5-amino-6-(cyclohexylamino)pyridine-3-carboxylate;methyl 3-cyclohexyl-2-(4-hydroxyphenyl)imidazo[4,5-b]pyridine-6-carboxylate with MolForge

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Related Compounds

sodium;1-[5-amino-6-(cyclohexylamino)-3-pyridinyl]ethanone;6-chloro-5-nitropyridine-3-carboxylic acid;6-(cyclohexylamino)-5-nitropyridine-3-carboxylic acid;1-[3-cyclohexyl-2-(4-hydroxyphenyl)imidazo[4,5-b]pyridin-6-yl]ethanone;3-cyclohexyl-2-(4-hydroxyphenyl)-N-(2-isocyanoethyl)imidazo[4,5-b]pyridine-6-carboxamide;4-[3-cyclohexyl-6-[1-(2-isocyanoethyl)tetrazol-5-yl]imidazo[4,5-b]pyridin-2-yl]phenol;3-cyclohexyl-6-[1-(2-isocyanoethyl)tetrazol-5-yl]-2-(4-tritiooxyphenyl)imidazo[4,5-b]pyridine;3-cyclohexyl-N-(2-isocyanoethyl)-2-(4-tritiooxyphenyl)imidazo[4,5-b]pyridine-6-carboxamide;3-cyclohexyl-2-[4-[[2-(4-isocyanophenyl)-5-methylphenyl]methoxy]phenyl]-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridine;deuterio(methyl)borinothioic acid;molecular hydrogen;trifluoromethylsulfonyl trifluoromethanesulfonate;azide
CID 160006107
7-(chloromethyl)-3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridine;1-ethyl-4-methoxybenzene;1H-imidazo[4,5-b]pyridine-7-carboxylic acid;1-(1H-imidazo[4,5-b]pyridin-7-ylmethyl)-4-propylpyrrolidin-2-one;[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-7-yl]methanol;1-[[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-7-yl]methyl]-4-propylpyrrolidin-2-one;7-methyl-1H-imidazo[4,5-b]pyridine;bis(methyl 1H-imidazo[4,5-b]pyridine-7-carboxylate);4-methyl-3-nitropyridin-2-amine;4-propylpyrrolidin-2-one
CID 158714286

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[4-[3-cyclohexyl-6-[1-(2-isocyanoethyl)tetrazol-5-yl]imidazo[4,5-b]pyridin-2-yl]phenoxy]-dimethylsilane;2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-cyclohexyl-N-(2-isocyanoethyl)imidazo[4,5-b]pyridine-6-carboxamide;6-chloro-5-nitropyridine-3-carboxylic acid;6-(cyclohexylamino)-5-nitropyridine-3-carboxylic acid;3-cyclohexyl-2-(4-hydroxyphenyl)-N-(2-isocyanoethyl)imidazo[4,5-b]pyridine-6-carboxamide;4-[3-cyclohexyl-6-[1-(2-isocyanoethyl)tetrazol-5-yl]imidazo[4,5-b]pyridin-2-yl]phenol;3-[[4-[3-cyclohexyl-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]phenoxy]methyl]-4-(4-isocyanophenyl)-N-methylbenzamide;methyl 5-amino-6-(cyclohexylamino)pyridine-3-carboxylate;methyl 3-cyclohexyl-2-(4-hydroxyphenyl)imidazo[4,5-b]pyridine-6-carboxylate?
The IUPAC name of tert-butyl-[4-[3-cyclohexyl-6-[1-(2-isocyanoethyl)tetrazol-5-yl]imidazo[4,5-b]pyridin-2-yl]phenoxy]-dimethylsilane;2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-cyclohexyl-N-(2-isocyanoethyl)imidazo[4,5-b]pyridine-6-carboxamide;6-chloro-5-nitropyridine-3-carboxylic acid;6-(cyclohexylamino)-5-nitropyridine-3-carboxylic acid;3-cyclohexyl-2-(4-hydroxyphenyl)-N-(2-isocyanoethyl)imidazo[4,5-b]pyridine-6-carboxamide;4-[3-cyclohexyl-6-[1-(2-isocyanoethyl)tetrazol-5-yl]imidazo[4,5-b]pyridin-2-yl]phenol;3-[[4-[3-cyclohexyl-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]phenoxy]methyl]-4-(4-isocyanophenyl)-N-methylbenzamide;methyl 5-amino-6-(cyclohexylamino)pyridine-3-carboxylate;methyl 3-cyclohexyl-2-(4-hydroxyphenyl)imidazo[4,5-b]pyridine-6-carboxylate (CID 160810797) is tert-butyl-[4-[3-cyclohexyl-6-[1-(2-isocyanoethyl)tetrazol-5-yl]imidazo[4,5-b]pyridin-2-yl]phenoxy]-dimethylsilane;2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-cyclohexyl-N-(2-isocyanoethyl)imidazo[4,5-b]pyridine-6-carboxamide;6-chloro-5-nitropyridine-3-carboxylic acid;6-(cyclohexylamino)-5-nitropyridine-3-carboxylic acid;3-cyclohexyl-2-(4-hydroxyphenyl)-N-(2-isocyanoethyl)imidazo[4,5-b]pyridine-6-carboxamide;4-[3-cyclohexyl-6-[1-(2-isocyanoethyl)tetrazol-5-yl]imidazo[4,5-b]pyridin-2-yl]phenol;3-[[4-[3-cyclohexyl-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]phenoxy]methyl]-4-(4-isocyanophenyl)-N-methylbenzamide;methyl 5-amino-6-(cyclohexylamino)pyridine-3-carboxylate;methyl 3-cyclohexyl-2-(4-hydroxyphenyl)imidazo[4,5-b]pyridine-6-carboxylate.
What is the SMILES notation for tert-butyl-[4-[3-cyclohexyl-6-[1-(2-isocyanoethyl)tetrazol-5-yl]imidazo[4,5-b]pyridin-2-yl]phenoxy]-dimethylsilane;2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-cyclohexyl-N-(2-isocyanoethyl)imidazo[4,5-b]pyridine-6-carboxamide;6-chloro-5-nitropyridine-3-carboxylic acid;6-(cyclohexylamino)-5-nitropyridine-3-carboxylic acid;3-cyclohexyl-2-(4-hydroxyphenyl)-N-(2-isocyanoethyl)imidazo[4,5-b]pyridine-6-carboxamide;4-[3-cyclohexyl-6-[1-(2-isocyanoethyl)tetrazol-5-yl]imidazo[4,5-b]pyridin-2-yl]phenol;3-[[4-[3-cyclohexyl-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]phenoxy]methyl]-4-(4-isocyanophenyl)-N-methylbenzamide;methyl 5-amino-6-(cyclohexylamino)pyridine-3-carboxylate;methyl 3-cyclohexyl-2-(4-hydroxyphenyl)imidazo[4,5-b]pyridine-6-carboxylate?
The canonical SMILES for tert-butyl-[4-[3-cyclohexyl-6-[1-(2-isocyanoethyl)tetrazol-5-yl]imidazo[4,5-b]pyridin-2-yl]phenoxy]-dimethylsilane;2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-cyclohexyl-N-(2-isocyanoethyl)imidazo[4,5-b]pyridine-6-carboxamide;6-chloro-5-nitropyridine-3-carboxylic acid;6-(cyclohexylamino)-5-nitropyridine-3-carboxylic acid;3-cyclohexyl-2-(4-hydroxyphenyl)-N-(2-isocyanoethyl)imidazo[4,5-b]pyridine-6-carboxamide;4-[3-cyclohexyl-6-[1-(2-isocyanoethyl)tetrazol-5-yl]imidazo[4,5-b]pyridin-2-yl]phenol;3-[[4-[3-cyclohexyl-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]phenoxy]methyl]-4-(4-isocyanophenyl)-N-methylbenzamide;methyl 5-amino-6-(cyclohexylamino)pyridine-3-carboxylate;methyl 3-cyclohexyl-2-(4-hydroxyphenyl)imidazo[4,5-b]pyridine-6-carboxylate is COC(=O)c1cnc(NC2CCCCC2)c(N)c1.COC(=O)c1cnc2c(c1)nc(-c1ccc(O)cc1)n2C1CCCCC1.O=C(O)c1cnc(Cl)c([N+](=O)[O-])c1.O=C(O)c1cnc(NC2CCCCC2)c([N+](=O)[O-])c1.[C-]#[N+]CCNC(=O)c1cnc2c(c1)nc(-c1ccc(O)cc1)n2C1CCCCC1.[C-]#[N+]CCNC(=O)c1cnc2c(c1)nc(-c1ccc(O[Si](C)(C)C(C)(C)C)cc1)n2C1CCCCC1.[C-]#[N+]CCn1nnnc1-c1cnc2c(c1)nc(-c1ccc(O)cc1)n2C1CCCCC1.[C-]#[N+]CCn1nnnc1-c1cnc2c(c1)nc(-c1ccc(O[Si](C)(C)C(C)(C)C)cc1)n2C1CCCCC1.[C-]#[N+]c1ccc(-c2ccc(C(=O)NC)cc2COc2ccc(-c3nc4cc(-c5nn[nH]n5)cnc4n3C3CCCCC3)cc2)cc1.
What is the InChIKey of tert-butyl-[4-[3-cyclohexyl-6-[1-(2-isocyanoethyl)tetrazol-5-yl]imidazo[4,5-b]pyridin-2-yl]phenoxy]-dimethylsilane;2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-cyclohexyl-N-(2-isocyanoethyl)imidazo[4,5-b]pyridine-6-carboxamide;6-chloro-5-nitropyridine-3-carboxylic acid;6-(cyclohexylamino)-5-nitropyridine-3-carboxylic acid;3-cyclohexyl-2-(4-hydroxyphenyl)-N-(2-isocyanoethyl)imidazo[4,5-b]pyridine-6-carboxamide;4-[3-cyclohexyl-6-[1-(2-isocyanoethyl)tetrazol-5-yl]imidazo[4,5-b]pyridin-2-yl]phenol;3-[[4-[3-cyclohexyl-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]phenoxy]methyl]-4-(4-isocyanophenyl)-N-methylbenzamide;methyl 5-amino-6-(cyclohexylamino)pyridine-3-carboxylate;methyl 3-cyclohexyl-2-(4-hydroxyphenyl)imidazo[4,5-b]pyridine-6-carboxylate?
The InChIKey is SEHFYYUSGZGZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H31N9O2.C28H36N8OSi.C28H37N5O2Si.C22H22N8O.C22H23N5O2.C20H21N3O3.C13H19N3O2.C12H15N3O4.C6H3ClN2O4/c1-36-27-13-8-22(9-14-27)30-17-12-24(35(45)37-2)18-26(30)21-46-29-15-10-23(11-16-29)33-39-31-19-25(32-40-42-43-41-32)20-38-34(31)44(33)28-6-4-3-5-7-28;1-28(2,3)38(5,6)37-23-14-12-20(13-15-23)25-31-24-18-21(26-32-33-34-35(26)17-16-29-4)19-30-27(24)36(25)22-10-8-7-9-11-22;1-28(2,3)36(5,6)35-23-14-12-20(13-15-23)25-32-24-18-21(27(34)30-17-16-29-4)19-31-26(24)33(25)22-10-8-7-9-11-22;1-23-11-12-29-21(26-27-28-29)16-13-19-22(24-14-16)30(17-5-3-2-4-6-17)20(25-19)15-7-9-18(31)10-8-15;1-23-11-12-24-22(29)16-13-19-21(25-14-16)27(17-5-3-2-4-6-17)20(26-19)15-7-9-18(28)10-8-15;1-26-20(25)14-11-17-19(21-12-14)23(15-5-3-2-4-6-15)18(22-17)13-7-9-16(24)10-8-13;1-18-13(17)9-7-11(14)12(15-8-9)16-10-5-3-2-4-6-10;16-12(17)8-6-10(15(18)19)11(13-7-8)14-9-4-2-1-3-5-9;7-5-4(9(12)13)1-3(2-8-5)6(10)11/h8-20,28H,3-7,21H2,2H3,(H,37,45)(H,40,41,42,43);12-15,18-19,22H,7-11,16-17H2,1-3,5-6H3;12-15,18-19,22H,7-11,16-17H2,1-3,5-6H3,(H,30,34);7-10,13-14,17,31H,2-6,11-12H2;7-10,13-14,17,28H,2-6,11-12H2,(H,24,29);7-12,15,24H,2-6H2,1H3;7-8,10H,2-6,14H2,1H3,(H,15,16);6-7,9H,1-5H2,(H,13,14)(H,16,17);1-2H,(H,10,11).
What are the key properties of tert-butyl-[4-[3-cyclohexyl-6-[1-(2-isocyanoethyl)tetrazol-5-yl]imidazo[4,5-b]pyridin-2-yl]phenoxy]-dimethylsilane;2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-cyclohexyl-N-(2-isocyanoethyl)imidazo[4,5-b]pyridine-6-carboxamide;6-chloro-5-nitropyridine-3-carboxylic acid;6-(cyclohexylamino)-5-nitropyridine-3-carboxylic acid;3-cyclohexyl-2-(4-hydroxyphenyl)-N-(2-isocyanoethyl)imidazo[4,5-b]pyridine-6-carboxamide;4-[3-cyclohexyl-6-[1-(2-isocyanoethyl)tetrazol-5-yl]imidazo[4,5-b]pyridin-2-yl]phenol;3-[[4-[3-cyclohexyl-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]phenoxy]methyl]-4-(4-isocyanophenyl)-N-methylbenzamide;methyl 5-amino-6-(cyclohexylamino)pyridine-3-carboxylate;methyl 3-cyclohexyl-2-(4-hydroxyphenyl)imidazo[4,5-b]pyridine-6-carboxylate?
tert-butyl-[4-[3-cyclohexyl-6-[1-(2-isocyanoethyl)tetrazol-5-yl]imidazo[4,5-b]pyridin-2-yl]phenoxy]-dimethylsilane;2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-cyclohexyl-N-(2-isocyanoethyl)imidazo[4,5-b]pyridine-6-carboxamide;6-chloro-5-nitropyridine-3-carboxylic acid;6-(cyclohexylamino)-5-nitropyridine-3-carboxylic acid;3-cyclohexyl-2-(4-hydroxyphenyl)-N-(2-isocyanoethyl)imidazo[4,5-b]pyridine-6-carboxamide;4-[3-cyclohexyl-6-[1-(2-isocyanoethyl)tetrazol-5-yl]imidazo[4,5-b]pyridin-2-yl]phenol;3-[[4-[3-cyclohexyl-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]phenoxy]methyl]-4-(4-isocyanophenyl)-N-methylbenzamide;methyl 5-amino-6-(cyclohexylamino)pyridine-3-carboxylate;methyl 3-cyclohexyl-2-(4-hydroxyphenyl)imidazo[4,5-b]pyridine-6-carboxylate has a molecular weight of 3514.63 g/mol, XLogP of 38.04, 44 rotatable bonds, 12 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[4-[3-cyclohexyl-6-[1-(2-isocyanoethyl)tetrazol-5-yl]imidazo[4,5-b]pyridin-2-yl]phenoxy]-dimethylsilane;2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-cyclohexyl-N-(2-isocyanoethyl)imidazo[4,5-b]pyridine-6-carboxamide;6-chloro-5-nitropyridine-3-carboxylic acid;6-(cyclohexylamino)-5-nitropyridine-3-carboxylic acid;3-cyclohexyl-2-(4-hydroxyphenyl)-N-(2-isocyanoethyl)imidazo[4,5-b]pyridine-6-carboxamide;4-[3-cyclohexyl-6-[1-(2-isocyanoethyl)tetrazol-5-yl]imidazo[4,5-b]pyridin-2-yl]phenol;3-[[4-[3-cyclohexyl-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]phenoxy]methyl]-4-(4-isocyanophenyl)-N-methylbenzamide;methyl 5-amino-6-(cyclohexylamino)pyridine-3-carboxylate;methyl 3-cyclohexyl-2-(4-hydroxyphenyl)imidazo[4,5-b]pyridine-6-carboxylate is sourced from PubChem (CID 160810797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).