bis(7-[(1-hydroxycyclopropyl)methoxy]-5-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile);7-(2-hydroxy-2-methylpropoxy)-5-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile;7-(1-methylpyrazol-4-yl)-5-[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyridine-3-carbonitrile;7-(1-methylpyrazol-4-yl)-5-[5-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrazin-2-yl]imidazo[1,2-a]pyridine-3-carbonitrile;7-(1-methylpyrazol-4-yl)-5-[2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrimidin-5-yl]imidazo[1,2-a]pyridine-3-carbonitrile

C167H163N49O9 — CID 163807594

IUPACbis(7-[(1-hydroxycyclopropyl)methoxy]-5-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile);7-(2-hydroxy-2-methylpropoxy)-5-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile;7-(1-methylpyrazol-4-yl)-5-[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyridine-3-carbonitrile;7-(1-methylpyrazol-4-yl)-5-[5-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrazin-2-yl]imidazo[1,2-a]pyridine-3-carbonitrile;7-(1-methylpyrazol-4-yl)-5-[2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrimidin-5-yl]imidazo[1,2-a]pyridine-3-carbonitrile
SMILESCOc1ccc(CN2C3CC2CN(c2ccc(-c4cc(OCC(C)(C)O)cc5ncc(C#N)n45)cn2)C3)cn1.COc1ccc(CN2C3CC2CN(c2ccc(-c4cc(OCC5(O)CC5)cc5ncc(C#N)n45)cn2)C3)cn1.COc1ccc(CN2C3CC2CN(c2ccc(-c4cc(OCC5(O)CC5)cc5ncc(C#N)n45)cn2)C3)cn1.Cn1cc(-c2cc(-c3ccc(N4CCN(Cc5ccccn5)CC4)cc3)n3c(C#N)cnc3c2)cn1.Cn1cc(-c2cc(-c3cnc(N4CCN(Cc5ccccn5)CC4)cn3)n3c(C#N)cnc3c2)cn1.Cn1cc(-c2cc(-c3cnc(N4CCN(Cc5ccccn5)CC4)nc3)n3c(C#N)cnc3c2)cn1
InChIInChI=1S/2C29H29N7O3.C29H31N7O3.C28H26N8.2C26H24N10/c2*1-38-28-5-2-19(12-33-28)15-35-21-8-22(35)17-34(16-21)26-4-3-20(13-31-26)25-9-24(39-18-29(37)6-7-29)10-27-32-14-23(11-30)36(25)27;1-29(2,37)18-39-24-9-25(36-23(11-30)14-32-27(36)10-24)20-5-6-26(31-13-20)34-16-21-8-22(17-34)35(21)15-19-4-7-28(38-3)33-12-19;1-33-19-23(17-32-33)22-14-27(36-26(16-29)18-31-28(36)15-22)21-5-7-25(8-6-21)35-12-10-34(11-13-35)20-24-4-2-3-9-30-24;1-33-17-20(13-32-33)19-10-24(36-22(12-27)14-30-25(36)11-19)23-15-31-26(16-29-23)35-8-6-34(7-9-35)18-21-4-2-3-5-28-21;1-33-17-21(15-32-33)19-10-24(36-23(12-27)16-29-25(36)11-19)20-13-30-26(31-14-20)35-8-6-34(7-9-35)18-22-4-2-3-5-28-22/h2*2-5,9-10,12-14,21-22,37H,6-8,15-18H2,1H3;4-7,9-10,12-14,21-22,37H,8,15-18H2,1-3H3;2-9,14-15,17-19H,10-13,20H2,1H3;2*2-5,10-11,13-17H,6-9,18H2,1H3
InChIKeyNKJDZJZFFILVHH-UHFFFAOYSA-N
MW3000.47 g/mol
LogP18.91
Rot. Bonds39

About bis(7-[(1-hydroxycyclopropyl)methoxy]-5-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile);7-(2-hydroxy-2-methylpropoxy)-5-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile;7-(1-methylpyrazol-4-yl)-5-[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyridine-3-carbonitrile;7-(1-methylpyrazol-4-yl)-5-[5-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrazin-2-yl]imidazo[1,2-a]pyridine-3-carbonitrile;7-(1-methylpyrazol-4-yl)-5-[2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrimidin-5-yl]imidazo[1,2-a]pyridine-3-carbonitrile

bis(7-[(1-hydroxycyclopropyl)methoxy]-5-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile);7-(2-hydroxy-2-methylpropoxy)-5-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile;7-(1-methylpyrazol-4-yl)-5-[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyridine-3-carbonitrile;7-(1-methylpyrazol-4-yl)-5-[5-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrazin-2-yl]imidazo[1,2-a]pyridine-3-carbonitrile;7-(1-methylpyrazol-4-yl)-5-[2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrimidin-5-yl]imidazo[1,2-a]pyridine-3-carbonitrile (PubChem CID 163807594) has the molecular formula C167H163N49O9 and a molecular weight of 3000.47 g/mol. Its IUPAC name is bis(7-[(1-hydroxycyclopropyl)methoxy]-5-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile);7-(2-hydroxy-2-methylpropoxy)-5-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile;7-(1-methylpyrazol-4-yl)-5-[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyridine-3-carbonitrile;7-(1-methylpyrazol-4-yl)-5-[5-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrazin-2-yl]imidazo[1,2-a]pyridine-3-carbonitrile;7-(1-methylpyrazol-4-yl)-5-[2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrimidin-5-yl]imidazo[1,2-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Namebis(7-[(1-hydroxycyclopropyl)methoxy]-5-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile);7-(2-hydroxy-2-methylpropoxy)-5-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile;7-(1-methylpyrazol-4-yl)-5-[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyridine-3-carbonitrile;7-(1-methylpyrazol-4-yl)-5-[5-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrazin-2-yl]imidazo[1,2-a]pyridine-3-carbonitrile;7-(1-methylpyrazol-4-yl)-5-[2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrimidin-5-yl]imidazo[1,2-a]pyridine-3-carbonitrile
PubChem CID163807594
Molecular FormulaC167H163N49O9
Molecular Weight3000.47 g/mol
Exact Mass2998.38
IUPAC Namebis(7-[(1-hydroxycyclopropyl)methoxy]-5-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile);7-(2-hydroxy-2-methylpropoxy)-5-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile;7-(1-methylpyrazol-4-yl)-5-[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyridine-3-carbonitrile;7-(1-methylpyrazol-4-yl)-5-[5-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrazin-2-yl]imidazo[1,2-a]pyridine-3-carbonitrile;7-(1-methylpyrazol-4-yl)-5-[2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrimidin-5-yl]imidazo[1,2-a]pyridine-3-carbonitrile
SMILESCOc1ccc(CN2C3CC2CN(c2ccc(-c4cc(OCC(C)(C)O)cc5ncc(C#N)n45)cn2)C3)cn1.COc1ccc(CN2C3CC2CN(c2ccc(-c4cc(OCC5(O)CC5)cc5ncc(C#N)n45)cn2)C3)cn1.COc1ccc(CN2C3CC2CN(c2ccc(-c4cc(OCC5(O)CC5)cc5ncc(C#N)n45)cn2)C3)cn1.Cn1cc(-c2cc(-c3ccc(N4CCN(Cc5ccccn5)CC4)cc3)n3c(C#N)cnc3c2)cn1.Cn1cc(-c2cc(-c3cnc(N4CCN(Cc5ccccn5)CC4)cn3)n3c(C#N)cnc3c2)cn1.Cn1cc(-c2cc(-c3cnc(N4CCN(Cc5ccccn5)CC4)nc3)n3c(C#N)cnc3c2)cn1
InChIInChI=1S/2C29H29N7O3.C29H31N7O3.C28H26N8.2C26H24N10/c2*1-38-28-5-2-19(12-33-28)15-35-21-8-22(35)17-34(16-21)26-4-3-20(13-31-26)25-9-24(39-18-29(37)6-7-29)10-27-32-14-23(11-30)36(25)27;1-29(2,37)18-39-24-9-25(36-23(11-30)14-32-27(36)10-24)20-5-6-26(31-13-20)34-16-21-8-22(17-34)35(21)15-19-4-7-28(38-3)33-12-19;1-33-19-23(17-32-33)22-14-27(36-26(16-29)18-31-28(36)15-22)21-5-7-25(8-6-21)35-12-10-34(11-13-35)20-24-4-2-3-9-30-24;1-33-17-20(13-32-33)19-10-24(36-22(12-27)14-30-25(36)11-19)23-15-31-26(16-29-23)35-8-6-34(7-9-35)18-21-4-2-3-5-28-21;1-33-17-21(15-32-33)19-10-24(36-23(12-27)16-29-25(36)11-19)20-13-30-26(31-14-20)35-8-6-34(7-9-35)18-22-4-2-3-5-28-22/h2*2-5,9-10,12-14,21-22,37H,6-8,15-18H2,1H3;4-7,9-10,12-14,21-22,37H,8,15-18H2,1-3H3;2-9,14-15,17-19H,10-13,20H2,1H3;2*2-5,10-11,13-17H,6-9,18H2,1H3
InChIKeyNKJDZJZFFILVHH-UHFFFAOYSA-N
XLogP18.91
TPSA622.52 Ų
H-Bond Donors3
H-Bond Acceptors58
Rotatable Bonds39
Heavy Atoms225
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003000.47
LogP ≤ 518.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1058

Analyze bis(7-[(1-hydroxycyclopropyl)methoxy]-5-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile);7-(2-hydroxy-2-methylpropoxy)-5-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile;7-(1-methylpyrazol-4-yl)-5-[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyridine-3-carbonitrile;7-(1-methylpyrazol-4-yl)-5-[5-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrazin-2-yl]imidazo[1,2-a]pyridine-3-carbonitrile;7-(1-methylpyrazol-4-yl)-5-[2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrimidin-5-yl]imidazo[1,2-a]pyridine-3-carbonitrile 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

US10112942, Example 322
CID 134436482
US10112942, Example 310
CID 134436971
CID 164959696
CID 164959696
CID 165062066
CID 165062066
CID 165082483
CID 165082483
6-(3,3-Difluoropyrrolidin-1-yl)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3-fluoropyrrolidin-1-yl)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile
CID 165092655
6-(3,3-difluoropyrrolidin-1-yl)-4-[6-[6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[(5-fluoro-7H-cyclopenta[b]pyridin-3-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(3-hydroxypyrrolidin-1-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3-hydroxy-3-methylpyrrolidin-1-yl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 165103322
6-(3,3-Difluoroazetidin-1-yl)-4-[6-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[3-(dimethylamino)pyrrolidin-1-yl]-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[(4-ethylphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(3-isocyanoazetidin-1-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 167566259
7,8-dimethyl-3-propan-2-ylimidazo[1,2-a]pyridine;N,N-dimethyl-2-(3-propan-2-ylimidazo[1,2-a]pyridin-7-yl)oxyethanamine;8-ethoxy-7-isocyano-3-propan-2-ylimidazo[1,2-a]pyridine;8-fluoro-7-isocyano-3-propan-2-ylimidazo[1,2-a]pyridine;7-fluoro-8-methoxy-3-propan-2-ylimidazo[1,2-a]pyridine;7-fluoro-8-methyl-3-propan-2-ylimidazo[1,2-a]pyridine;8-fluoro-7-methyl-3-propan-2-ylimidazo[1,2-a]pyridine;8-fluoro-3-propan-2-ylimidazo[1,2-a]pyridine;7-methoxy-3-propan-2-ylimidazo[1,2-a]pyridine;8-methoxy-3-propan-2-ylimidazo[1,2-a]pyridine;8-methyl-3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,2-a]pyridine-8-carbonitrile;2-(3-propan-2-ylimidazo[1,2-a]pyridin-7-yl)oxyethanol;3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-propan-2-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 167686627
3-[2-[7-[[3-[2-(7-Methoxyimidazo[1,2-a]pyridin-2-yl)cyclopropyl]pyrazolo[1,5-a]pyrimidin-7-yl]methoxy]imidazo[1,2-a]pyridin-2-yl]cyclopropyl]-2-methyl-7-[[2-[2-(1-methylpyrazolo[4,3-b]pyridin-3-yl)cyclopropyl]imidazo[1,2-a]pyridin-7-yl]oxymethyl]pyrazolo[4,3-b]pyridine
CID 123148365
3-[2-(7-Methoxy-3-methylimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-7-[[2-[2-[7-[[2-[2-(1-methylpyrazolo[4,3-b]pyridin-3-yl)cyclopropyl]imidazo[1,2-a]pyridin-7-yl]oxymethyl]pyrazolo[1,5-a]pyrimidin-3-yl]cyclopropyl]imidazo[1,2-a]pyridin-7-yl]oxymethyl]pyrazolo[1,5-a]pyrimidine
CID 138482980
6-[6-[2-[5-[[3-[5-[3-cyano-6-(3,6-dihydro-2H-pyran-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methyl]pyrazin-2-yl]oxyethyl]-6-methyl-2,3-dihydropyran-4-yl]-4-[6-[6-[[6-[2-[4-[3-cyano-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]-6-methyl-2,5-dihydropyran-6-yl]ethoxy]-3-pyridinyl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 155180980

Frequently Asked Questions

What is the IUPAC name of bis(7-[(1-hydroxycyclopropyl)methoxy]-5-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile);7-(2-hydroxy-2-methylpropoxy)-5-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile;7-(1-methylpyrazol-4-yl)-5-[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyridine-3-carbonitrile;7-(1-methylpyrazol-4-yl)-5-[5-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrazin-2-yl]imidazo[1,2-a]pyridine-3-carbonitrile;7-(1-methylpyrazol-4-yl)-5-[2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrimidin-5-yl]imidazo[1,2-a]pyridine-3-carbonitrile?
The IUPAC name of bis(7-[(1-hydroxycyclopropyl)methoxy]-5-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile);7-(2-hydroxy-2-methylpropoxy)-5-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile;7-(1-methylpyrazol-4-yl)-5-[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyridine-3-carbonitrile;7-(1-methylpyrazol-4-yl)-5-[5-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrazin-2-yl]imidazo[1,2-a]pyridine-3-carbonitrile;7-(1-methylpyrazol-4-yl)-5-[2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrimidin-5-yl]imidazo[1,2-a]pyridine-3-carbonitrile (CID 163807594) is bis(7-[(1-hydroxycyclopropyl)methoxy]-5-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile);7-(2-hydroxy-2-methylpropoxy)-5-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile;7-(1-methylpyrazol-4-yl)-5-[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyridine-3-carbonitrile;7-(1-methylpyrazol-4-yl)-5-[5-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrazin-2-yl]imidazo[1,2-a]pyridine-3-carbonitrile;7-(1-methylpyrazol-4-yl)-5-[2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrimidin-5-yl]imidazo[1,2-a]pyridine-3-carbonitrile.
What is the SMILES notation for bis(7-[(1-hydroxycyclopropyl)methoxy]-5-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile);7-(2-hydroxy-2-methylpropoxy)-5-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile;7-(1-methylpyrazol-4-yl)-5-[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyridine-3-carbonitrile;7-(1-methylpyrazol-4-yl)-5-[5-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrazin-2-yl]imidazo[1,2-a]pyridine-3-carbonitrile;7-(1-methylpyrazol-4-yl)-5-[2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrimidin-5-yl]imidazo[1,2-a]pyridine-3-carbonitrile?
The canonical SMILES for bis(7-[(1-hydroxycyclopropyl)methoxy]-5-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile);7-(2-hydroxy-2-methylpropoxy)-5-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile;7-(1-methylpyrazol-4-yl)-5-[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyridine-3-carbonitrile;7-(1-methylpyrazol-4-yl)-5-[5-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrazin-2-yl]imidazo[1,2-a]pyridine-3-carbonitrile;7-(1-methylpyrazol-4-yl)-5-[2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrimidin-5-yl]imidazo[1,2-a]pyridine-3-carbonitrile is COc1ccc(CN2C3CC2CN(c2ccc(-c4cc(OCC(C)(C)O)cc5ncc(C#N)n45)cn2)C3)cn1.COc1ccc(CN2C3CC2CN(c2ccc(-c4cc(OCC5(O)CC5)cc5ncc(C#N)n45)cn2)C3)cn1.COc1ccc(CN2C3CC2CN(c2ccc(-c4cc(OCC5(O)CC5)cc5ncc(C#N)n45)cn2)C3)cn1.Cn1cc(-c2cc(-c3ccc(N4CCN(Cc5ccccn5)CC4)cc3)n3c(C#N)cnc3c2)cn1.Cn1cc(-c2cc(-c3cnc(N4CCN(Cc5ccccn5)CC4)cn3)n3c(C#N)cnc3c2)cn1.Cn1cc(-c2cc(-c3cnc(N4CCN(Cc5ccccn5)CC4)nc3)n3c(C#N)cnc3c2)cn1.
What is the InChIKey of bis(7-[(1-hydroxycyclopropyl)methoxy]-5-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile);7-(2-hydroxy-2-methylpropoxy)-5-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile;7-(1-methylpyrazol-4-yl)-5-[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyridine-3-carbonitrile;7-(1-methylpyrazol-4-yl)-5-[5-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrazin-2-yl]imidazo[1,2-a]pyridine-3-carbonitrile;7-(1-methylpyrazol-4-yl)-5-[2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrimidin-5-yl]imidazo[1,2-a]pyridine-3-carbonitrile?
The InChIKey is NKJDZJZFFILVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C29H29N7O3.C29H31N7O3.C28H26N8.2C26H24N10/c2*1-38-28-5-2-19(12-33-28)15-35-21-8-22(35)17-34(16-21)26-4-3-20(13-31-26)25-9-24(39-18-29(37)6-7-29)10-27-32-14-23(11-30)36(25)27;1-29(2,37)18-39-24-9-25(36-23(11-30)14-32-27(36)10-24)20-5-6-26(31-13-20)34-16-21-8-22(17-34)35(21)15-19-4-7-28(38-3)33-12-19;1-33-19-23(17-32-33)22-14-27(36-26(16-29)18-31-28(36)15-22)21-5-7-25(8-6-21)35-12-10-34(11-13-35)20-24-4-2-3-9-30-24;1-33-17-20(13-32-33)19-10-24(36-22(12-27)14-30-25(36)11-19)23-15-31-26(16-29-23)35-8-6-34(7-9-35)18-21-4-2-3-5-28-21;1-33-17-21(15-32-33)19-10-24(36-23(12-27)16-29-25(36)11-19)20-13-30-26(31-14-20)35-8-6-34(7-9-35)18-22-4-2-3-5-28-22/h2*2-5,9-10,12-14,21-22,37H,6-8,15-18H2,1H3;4-7,9-10,12-14,21-22,37H,8,15-18H2,1-3H3;2-9,14-15,17-19H,10-13,20H2,1H3;2*2-5,10-11,13-17H,6-9,18H2,1H3.
What are the key properties of bis(7-[(1-hydroxycyclopropyl)methoxy]-5-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile);7-(2-hydroxy-2-methylpropoxy)-5-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile;7-(1-methylpyrazol-4-yl)-5-[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyridine-3-carbonitrile;7-(1-methylpyrazol-4-yl)-5-[5-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrazin-2-yl]imidazo[1,2-a]pyridine-3-carbonitrile;7-(1-methylpyrazol-4-yl)-5-[2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrimidin-5-yl]imidazo[1,2-a]pyridine-3-carbonitrile?
bis(7-[(1-hydroxycyclopropyl)methoxy]-5-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile);7-(2-hydroxy-2-methylpropoxy)-5-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile;7-(1-methylpyrazol-4-yl)-5-[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyridine-3-carbonitrile;7-(1-methylpyrazol-4-yl)-5-[5-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrazin-2-yl]imidazo[1,2-a]pyridine-3-carbonitrile;7-(1-methylpyrazol-4-yl)-5-[2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrimidin-5-yl]imidazo[1,2-a]pyridine-3-carbonitrile has a molecular weight of 3000.47 g/mol, XLogP of 18.91, 39 rotatable bonds, 3 hydrogen bond donors, and 58 hydrogen bond acceptors.
Where does this data come from?
All data for bis(7-[(1-hydroxycyclopropyl)methoxy]-5-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile);7-(2-hydroxy-2-methylpropoxy)-5-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile;7-(1-methylpyrazol-4-yl)-5-[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyridine-3-carbonitrile;7-(1-methylpyrazol-4-yl)-5-[5-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrazin-2-yl]imidazo[1,2-a]pyridine-3-carbonitrile;7-(1-methylpyrazol-4-yl)-5-[2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrimidin-5-yl]imidazo[1,2-a]pyridine-3-carbonitrile is sourced from PubChem (CID 163807594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).