1-[1-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]piperidin-4-yl]propan-2-one;3-(4-chlorophenyl)-2-[6-[4-(methylsulfonylmethyl)piperidin-1-yl]-3-pyridinyl]imidazo[4,5-c]pyridine;1-[4-[5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]-1,4-diazepan-1-yl]ethanone;1-[4-[5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]piperazin-1-yl]ethanone;3-(4-fluorophenyl)-2-[6-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]imidazo[4,5-c]pyridine

C118H113Cl2F3N28O7S2 — CID 158507772

IUPAC1-[1-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]piperidin-4-yl]propan-2-one;3-(4-chlorophenyl)-2-[6-[4-(methylsulfonylmethyl)piperidin-1-yl]-3-pyridinyl]imidazo[4,5-c]pyridine;1-[4-[5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]-1,4-diazepan-1-yl]ethanone;1-[4-[5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]piperazin-1-yl]ethanone;3-(4-fluorophenyl)-2-[6-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]imidazo[4,5-c]pyridine
SMILESCC(=O)CC1CCN(c2ccc(-c3nc4ccncc4n3-c3ccc(Cl)cc3)cn2)CC1.CC(=O)N1CCCN(c2ccc(-c3nc4ccncc4n3-c3ccc(F)cc3)cn2)CC1.CC(=O)N1CCN(c2ccc(-c3nc4ccncc4n3-c3ccc(F)cc3)cn2)CC1.CS(=O)(=O)CC1CCN(c2ccc(-c3nc4ccncc4n3-c3ccc(Cl)cc3)cn2)CC1.CS(=O)(=O)N1CCN(c2ccc(-c3nc4ccncc4n3-c3ccc(F)cc3)cn2)CC1
InChIInChI=1S/C25H24ClN5O.C24H24ClN5O2S.C24H23FN6O.C23H21FN6O.C22H21FN6O2S/c1-17(32)14-18-9-12-30(13-10-18)24-7-2-19(15-28-24)25-29-22-8-11-27-16-23(22)31(25)21-5-3-20(26)4-6-21;1-33(31,32)16-17-9-12-29(13-10-17)23-7-2-18(14-27-23)24-28-21-8-11-26-15-22(21)30(24)20-5-3-19(25)4-6-20;1-17(32)29-11-2-12-30(14-13-29)23-8-3-18(15-27-23)24-28-21-9-10-26-16-22(21)31(24)20-6-4-19(25)5-7-20;1-16(31)28-10-12-29(13-11-28)22-7-2-17(14-26-22)23-27-20-8-9-25-15-21(20)30(23)19-5-3-18(24)4-6-19;1-32(30,31)28-12-10-27(11-13-28)21-7-2-16(14-25-21)22-26-19-8-9-24-15-20(19)29(22)18-5-3-17(23)4-6-18/h2-8,11,15-16,18H,9-10,12-14H2,1H3;2-8,11,14-15,17H,9-10,12-13,16H2,1H3;3-10,15-16H,2,11-14H2,1H3;2-9,14-15H,10-13H2,1H3;2-9,14-15H,10-13H2,1H3
InChIKeyHKRAQCQSDHMECN-UHFFFAOYSA-N
MW2227.42 g/mol
LogP19.40
Rot. Bonds20

About 1-[1-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]piperidin-4-yl]propan-2-one;3-(4-chlorophenyl)-2-[6-[4-(methylsulfonylmethyl)piperidin-1-yl]-3-pyridinyl]imidazo[4,5-c]pyridine;1-[4-[5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]-1,4-diazepan-1-yl]ethanone;1-[4-[5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]piperazin-1-yl]ethanone;3-(4-fluorophenyl)-2-[6-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]imidazo[4,5-c]pyridine

1-[1-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]piperidin-4-yl]propan-2-one;3-(4-chlorophenyl)-2-[6-[4-(methylsulfonylmethyl)piperidin-1-yl]-3-pyridinyl]imidazo[4,5-c]pyridine;1-[4-[5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]-1,4-diazepan-1-yl]ethanone;1-[4-[5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]piperazin-1-yl]ethanone;3-(4-fluorophenyl)-2-[6-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]imidazo[4,5-c]pyridine (PubChem CID 158507772) has the molecular formula C118H113Cl2F3N28O7S2 and a molecular weight of 2227.42 g/mol. Its IUPAC name is 1-[1-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]piperidin-4-yl]propan-2-one;3-(4-chlorophenyl)-2-[6-[4-(methylsulfonylmethyl)piperidin-1-yl]-3-pyridinyl]imidazo[4,5-c]pyridine;1-[4-[5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]-1,4-diazepan-1-yl]ethanone;1-[4-[5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]piperazin-1-yl]ethanone;3-(4-fluorophenyl)-2-[6-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1-[1-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]piperidin-4-yl]propan-2-one;3-(4-chlorophenyl)-2-[6-[4-(methylsulfonylmethyl)piperidin-1-yl]-3-pyridinyl]imidazo[4,5-c]pyridine;1-[4-[5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]-1,4-diazepan-1-yl]ethanone;1-[4-[5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]piperazin-1-yl]ethanone;3-(4-fluorophenyl)-2-[6-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]imidazo[4,5-c]pyridine
PubChem CID158507772
Molecular FormulaC118H113Cl2F3N28O7S2
Molecular Weight2227.42 g/mol
Exact Mass2224.81
IUPAC Name1-[1-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]piperidin-4-yl]propan-2-one;3-(4-chlorophenyl)-2-[6-[4-(methylsulfonylmethyl)piperidin-1-yl]-3-pyridinyl]imidazo[4,5-c]pyridine;1-[4-[5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]-1,4-diazepan-1-yl]ethanone;1-[4-[5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]piperazin-1-yl]ethanone;3-(4-fluorophenyl)-2-[6-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]imidazo[4,5-c]pyridine
SMILESCC(=O)CC1CCN(c2ccc(-c3nc4ccncc4n3-c3ccc(Cl)cc3)cn2)CC1.CC(=O)N1CCCN(c2ccc(-c3nc4ccncc4n3-c3ccc(F)cc3)cn2)CC1.CC(=O)N1CCN(c2ccc(-c3nc4ccncc4n3-c3ccc(F)cc3)cn2)CC1.CS(=O)(=O)CC1CCN(c2ccc(-c3nc4ccncc4n3-c3ccc(Cl)cc3)cn2)CC1.CS(=O)(=O)N1CCN(c2ccc(-c3nc4ccncc4n3-c3ccc(F)cc3)cn2)CC1
InChIInChI=1S/C25H24ClN5O.C24H24ClN5O2S.C24H23FN6O.C23H21FN6O.C22H21FN6O2S/c1-17(32)14-18-9-12-30(13-10-18)24-7-2-19(15-28-24)25-29-22-8-11-27-16-23(22)31(25)21-5-3-20(26)4-6-21;1-33(31,32)16-17-9-12-29(13-10-17)23-7-2-18(14-27-23)24-28-21-8-11-26-15-22(21)30(24)20-5-3-19(25)4-6-20;1-17(32)29-11-2-12-30(14-13-29)23-8-3-18(15-27-23)24-28-21-9-10-26-16-22(21)31(24)20-6-4-19(25)5-7-20;1-16(31)28-10-12-29(13-11-28)22-7-2-17(14-26-22)23-27-20-8-9-25-15-21(20)30(23)19-5-3-18(24)4-6-19;1-32(30,31)28-12-10-27(11-13-28)21-7-2-16(14-25-21)22-26-19-8-9-24-15-20(19)29(22)18-5-3-17(23)4-6-18/h2-8,11,15-16,18H,9-10,12-14H2,1H3;2-8,11,14-15,17H,9-10,12-13,16H2,1H3;3-10,15-16H,2,11-14H2,1H3;2-9,14-15H,10-13H2,1H3;2-9,14-15H,10-13H2,1H3
InChIKeyHKRAQCQSDHMECN-UHFFFAOYSA-N
XLogP19.40
TPSA363.41 Ų
H-Bond Donors
H-Bond Acceptors32
Rotatable Bonds20
Heavy Atoms160
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002227.42
LogP ≤ 519.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1032

Analyze 1-[1-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]piperidin-4-yl]propan-2-one;3-(4-chlorophenyl)-2-[6-[4-(methylsulfonylmethyl)piperidin-1-yl]-3-pyridinyl]imidazo[4,5-c]pyridine;1-[4-[5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]-1,4-diazepan-1-yl]ethanone;1-[4-[5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]piperazin-1-yl]ethanone;3-(4-fluorophenyl)-2-[6-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]imidazo[4,5-c]pyridine with MolForge

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Related Compounds

N-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]acetamide;[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]-methyl-methylidene-oxo-lambda6-sulfane;2-(5-chloro-2-piperidin-1-yl-4-pyridinyl)-1-methylbenzimidazole;N-[1-[4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]acetamide;N-[1-[4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide;methyl-[4-[4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperazin-1-yl]-methylidene-oxo-lambda6-sulfane;methyl N-[1-[4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]carbamate;1-methyl-2-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]benzimidazole
CID 158240077
N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]cyclopropanesulfonamide;N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-methylethanesulfonamide;N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]propane-1-sulfonamide;N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]propane-2-sulfonamide;1-[4-[[2-(4-chlorophenyl)-6-(1,1-dioxo-1,2-thiazolidin-2-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone
CID 158511235
2-[5-chloro-2-(4-methoxypiperidin-1-yl)-4-pyridinyl]-3-methylimidazo[4,5-b]pyridine;1-[4-[5-chloro-4-(3-methylimidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]-1,4-diazepan-1-yl]ethanone;bis(1-[4-[5-chloro-4-(3-methylimidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperazin-1-yl]ethanone);N-[1-[5-chloro-4-(3-methylimidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide;[1-[5-chloro-4-(3-methylimidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]-methyl-methylidene-oxo-lambda6-sulfane
CID 159092313
1-[1-[5-[3-(4-Chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]piperidin-4-yl]propan-2-one;3-(4-chlorophenyl)-2-[6-[4-(methylsulfonylmethyl)piperidin-1-yl]-3-pyridinyl]imidazo[4,5-c]pyridine;1-[4-[5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]-1,4-diazepan-1-yl]ethanone;1-[4-[5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]piperazin-1-yl]ethanone
CID 159801517
8-(2-chlorophenyl)-9-(4-chlorophenyl)-N-cyclohexylpurin-6-amine;bis(8-(2-chlorophenyl)-9-(4-chlorophenyl)-N-(1-methylsulfonylpiperidin-3-yl)purin-6-amine);1-[3-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]piperidin-1-yl]butan-1-one;1-[3-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]piperidin-1-yl]ethanone
CID 159891445
1-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2,5-dimethylpiperidine-3-carboxamide;(3S)-1-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidine-3-carboxamide;[1-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-3-yl]imino-dimethyl-oxo-lambda6-sulfane;bis(1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2,5-dimethylpiperidine-3-carboxamide)
CID 160256859
1-[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperazin-1-yl]-2-(dimethylamino)ethanone;N-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperidin-4-yl]methanesulfonamide;5-chloro-N-methyl-4-(1-methylbenzimidazol-2-yl)-N-(2-methylsulfonylethyl)pyrimidin-2-amine;2-[5-chloro-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-1-methylbenzimidazole;2-[5-chloro-2-(4-methylsulfonylpiperidin-1-yl)pyrimidin-4-yl]-1-methylbenzimidazole;2-(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)-1-methylbenzimidazole;N-[1-[4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperidin-4-yl]methanesulfonamide
CID 161114653
2-[2-(azepan-1-yl)-4-pyridinyl]-1-methylbenzimidazole;N-[(1R,5S)-3-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]methanesulfinamide;(1R,5S)-3-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-N-[dihydroxy(methyl)-lambda4-sulfanyl]-3-azabicyclo[3.1.0]hexan-6-amine;4-[4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-1-methylidene-1,4-thiazinane 1-oxide;1-[1-[4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]pyrrolidin-2-one;methyl-[1-[4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]-methylidene-oxo-lambda6-sulfane;1-methyl-2-[2-(4-methylsulfonyl-1,4-diazepan-1-yl)-4-pyridinyl]benzimidazole;1-methyl-2-[2-[4-(methylsulfonylmethyl)piperidin-1-yl]-4-pyridinyl]benzimidazole
CID 162144866
N-benzyl-2-(11-cyclohexyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-3-yl)acetamide;11-cyclohexyl-3-(methylsulfanylmethyl)-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;11-cyclohexyl-3-(methylsulfinylmethyl)-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;11-cyclohexyl-3-(methylsulfonylmethyl)-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;2-(11-cyclohexyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-3-yl)-N-(4-fluorophenyl)acetamide;(11-cyclohexyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-3-yl)methanesulfonamide;3-(11-cyclohexyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-3-yl)-N-[2-(methylamino)prop-2-enyl]propanamide;2-(11-cyclohexyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-3-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 167668111

Frequently Asked Questions

What is the IUPAC name of 1-[1-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]piperidin-4-yl]propan-2-one;3-(4-chlorophenyl)-2-[6-[4-(methylsulfonylmethyl)piperidin-1-yl]-3-pyridinyl]imidazo[4,5-c]pyridine;1-[4-[5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]-1,4-diazepan-1-yl]ethanone;1-[4-[5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]piperazin-1-yl]ethanone;3-(4-fluorophenyl)-2-[6-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]imidazo[4,5-c]pyridine?
The IUPAC name of 1-[1-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]piperidin-4-yl]propan-2-one;3-(4-chlorophenyl)-2-[6-[4-(methylsulfonylmethyl)piperidin-1-yl]-3-pyridinyl]imidazo[4,5-c]pyridine;1-[4-[5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]-1,4-diazepan-1-yl]ethanone;1-[4-[5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]piperazin-1-yl]ethanone;3-(4-fluorophenyl)-2-[6-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]imidazo[4,5-c]pyridine (CID 158507772) is 1-[1-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]piperidin-4-yl]propan-2-one;3-(4-chlorophenyl)-2-[6-[4-(methylsulfonylmethyl)piperidin-1-yl]-3-pyridinyl]imidazo[4,5-c]pyridine;1-[4-[5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]-1,4-diazepan-1-yl]ethanone;1-[4-[5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]piperazin-1-yl]ethanone;3-(4-fluorophenyl)-2-[6-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]imidazo[4,5-c]pyridine.
What is the SMILES notation for 1-[1-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]piperidin-4-yl]propan-2-one;3-(4-chlorophenyl)-2-[6-[4-(methylsulfonylmethyl)piperidin-1-yl]-3-pyridinyl]imidazo[4,5-c]pyridine;1-[4-[5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]-1,4-diazepan-1-yl]ethanone;1-[4-[5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]piperazin-1-yl]ethanone;3-(4-fluorophenyl)-2-[6-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]imidazo[4,5-c]pyridine?
The canonical SMILES for 1-[1-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]piperidin-4-yl]propan-2-one;3-(4-chlorophenyl)-2-[6-[4-(methylsulfonylmethyl)piperidin-1-yl]-3-pyridinyl]imidazo[4,5-c]pyridine;1-[4-[5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]-1,4-diazepan-1-yl]ethanone;1-[4-[5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]piperazin-1-yl]ethanone;3-(4-fluorophenyl)-2-[6-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]imidazo[4,5-c]pyridine is CC(=O)CC1CCN(c2ccc(-c3nc4ccncc4n3-c3ccc(Cl)cc3)cn2)CC1.CC(=O)N1CCCN(c2ccc(-c3nc4ccncc4n3-c3ccc(F)cc3)cn2)CC1.CC(=O)N1CCN(c2ccc(-c3nc4ccncc4n3-c3ccc(F)cc3)cn2)CC1.CS(=O)(=O)CC1CCN(c2ccc(-c3nc4ccncc4n3-c3ccc(Cl)cc3)cn2)CC1.CS(=O)(=O)N1CCN(c2ccc(-c3nc4ccncc4n3-c3ccc(F)cc3)cn2)CC1.
What is the InChIKey of 1-[1-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]piperidin-4-yl]propan-2-one;3-(4-chlorophenyl)-2-[6-[4-(methylsulfonylmethyl)piperidin-1-yl]-3-pyridinyl]imidazo[4,5-c]pyridine;1-[4-[5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]-1,4-diazepan-1-yl]ethanone;1-[4-[5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]piperazin-1-yl]ethanone;3-(4-fluorophenyl)-2-[6-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]imidazo[4,5-c]pyridine?
The InChIKey is HKRAQCQSDHMECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN5O.C24H24ClN5O2S.C24H23FN6O.C23H21FN6O.C22H21FN6O2S/c1-17(32)14-18-9-12-30(13-10-18)24-7-2-19(15-28-24)25-29-22-8-11-27-16-23(22)31(25)21-5-3-20(26)4-6-21;1-33(31,32)16-17-9-12-29(13-10-17)23-7-2-18(14-27-23)24-28-21-8-11-26-15-22(21)30(24)20-5-3-19(25)4-6-20;1-17(32)29-11-2-12-30(14-13-29)23-8-3-18(15-27-23)24-28-21-9-10-26-16-22(21)31(24)20-6-4-19(25)5-7-20;1-16(31)28-10-12-29(13-11-28)22-7-2-17(14-26-22)23-27-20-8-9-25-15-21(20)30(23)19-5-3-18(24)4-6-19;1-32(30,31)28-12-10-27(11-13-28)21-7-2-16(14-25-21)22-26-19-8-9-24-15-20(19)29(22)18-5-3-17(23)4-6-18/h2-8,11,15-16,18H,9-10,12-14H2,1H3;2-8,11,14-15,17H,9-10,12-13,16H2,1H3;3-10,15-16H,2,11-14H2,1H3;2-9,14-15H,10-13H2,1H3;2-9,14-15H,10-13H2,1H3.
What are the key properties of 1-[1-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]piperidin-4-yl]propan-2-one;3-(4-chlorophenyl)-2-[6-[4-(methylsulfonylmethyl)piperidin-1-yl]-3-pyridinyl]imidazo[4,5-c]pyridine;1-[4-[5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]-1,4-diazepan-1-yl]ethanone;1-[4-[5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]piperazin-1-yl]ethanone;3-(4-fluorophenyl)-2-[6-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]imidazo[4,5-c]pyridine?
1-[1-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]piperidin-4-yl]propan-2-one;3-(4-chlorophenyl)-2-[6-[4-(methylsulfonylmethyl)piperidin-1-yl]-3-pyridinyl]imidazo[4,5-c]pyridine;1-[4-[5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]-1,4-diazepan-1-yl]ethanone;1-[4-[5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]piperazin-1-yl]ethanone;3-(4-fluorophenyl)-2-[6-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]imidazo[4,5-c]pyridine has a molecular weight of 2227.42 g/mol, XLogP of 19.40, 20 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]piperidin-4-yl]propan-2-one;3-(4-chlorophenyl)-2-[6-[4-(methylsulfonylmethyl)piperidin-1-yl]-3-pyridinyl]imidazo[4,5-c]pyridine;1-[4-[5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]-1,4-diazepan-1-yl]ethanone;1-[4-[5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]piperazin-1-yl]ethanone;3-(4-fluorophenyl)-2-[6-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]imidazo[4,5-c]pyridine is sourced from PubChem (CID 158507772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).