4-[4-ethenyl-2-(4-fluorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrrol-3-yl]pyridine;ethyl 5-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-1H-pyrrole-3-carboxylate;5-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-1H-pyrrole-3-carboxamide;1-[5-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-1H-pyrrol-3-yl]-N,N-dimethylmethanamine;1-[5-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-1H-pyrrol-3-yl]ethanol;[5-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-1H-pyrrol-3-yl]methanol

C138H152F6N20O5 — CID 165024396

IUPAC4-[4-ethenyl-2-(4-fluorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrrol-3-yl]pyridine;ethyl 5-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-1H-pyrrole-3-carboxylate;5-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-1H-pyrrole-3-carboxamide;1-[5-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-1H-pyrrol-3-yl]-N,N-dimethylmethanamine;1-[5-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-1H-pyrrol-3-yl]ethanol;[5-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-1H-pyrrol-3-yl]methanol
SMILESC=Cc1c(C2CCN(C)CC2)[nH]c(-c2ccc(F)cc2)c1-c1ccncc1.CC(O)c1c(C2CCN(C)CC2)[nH]c(-c2ccc(F)cc2)c1-c1ccncc1.CCOC(=O)c1c(C2CCN(C)CC2)[nH]c(-c2ccc(F)cc2)c1-c1ccncc1.CN(C)Cc1c(C2CCN(C)CC2)[nH]c(-c2ccc(F)cc2)c1-c1ccncc1.CN1CCC(c2[nH]c(-c3ccc(F)cc3)c(-c3ccncc3)c2C(N)=O)CC1.CN1CCC(c2[nH]c(-c3ccc(F)cc3)c(-c3ccncc3)c2CO)CC1
InChIInChI=1S/C24H29FN4.C24H26FN3O2.C23H26FN3O.C23H24FN3.C22H23FN4O.C22H24FN3O/c1-28(2)16-21-22(17-8-12-26-13-9-17)24(18-4-6-20(25)7-5-18)27-23(21)19-10-14-29(3)15-11-19;1-3-30-24(29)21-20(16-8-12-26-13-9-16)22(17-4-6-19(25)7-5-17)27-23(21)18-10-14-28(2)15-11-18;1-15(28)20-21(16-7-11-25-12-8-16)23(17-3-5-19(24)6-4-17)26-22(20)18-9-13-27(2)14-10-18;1-3-20-21(16-8-12-25-13-9-16)23(17-4-6-19(24)7-5-17)26-22(20)18-10-14-27(2)15-11-18;1-27-12-8-16(9-13-27)21-19(22(24)28)18(14-6-10-25-11-7-14)20(26-21)15-2-4-17(23)5-3-15;1-26-12-8-17(9-13-26)21-19(14-27)20(15-6-10-24-11-7-15)22(25-21)16-2-4-18(23)5-3-16/h4-9,12-13,19,27H,10-11,14-16H2,1-3H3;4-9,12-13,18,27H,3,10-11,14-15H2,1-2H3;3-8,11-12,15,18,26,28H,9-10,13-14H2,1-2H3;3-9,12-13,18,26H,1,10-11,14-15H2,2H3;2-7,10-11,16,26H,8-9,12-13H2,1H3,(H2,24,28);2-7,10-11,17,25,27H,8-9,12-14H2,1H3
InChIKeyLQNWEECZPNMVQW-UHFFFAOYSA-N
MW2284.86 g/mol
LogP27.68
Rot. Bonds26

About 4-[4-ethenyl-2-(4-fluorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrrol-3-yl]pyridine;ethyl 5-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-1H-pyrrole-3-carboxylate;5-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-1H-pyrrole-3-carboxamide;1-[5-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-1H-pyrrol-3-yl]-N,N-dimethylmethanamine;1-[5-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-1H-pyrrol-3-yl]ethanol;[5-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-1H-pyrrol-3-yl]methanol

4-[4-ethenyl-2-(4-fluorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrrol-3-yl]pyridine;ethyl 5-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-1H-pyrrole-3-carboxylate;5-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-1H-pyrrole-3-carboxamide;1-[5-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-1H-pyrrol-3-yl]-N,N-dimethylmethanamine;1-[5-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-1H-pyrrol-3-yl]ethanol;[5-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-1H-pyrrol-3-yl]methanol (PubChem CID 165024396) has the molecular formula C138H152F6N20O5 and a molecular weight of 2284.86 g/mol. Its IUPAC name is 4-[4-ethenyl-2-(4-fluorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrrol-3-yl]pyridine;ethyl 5-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-1H-pyrrole-3-carboxylate;5-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-1H-pyrrole-3-carboxamide;1-[5-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-1H-pyrrol-3-yl]-N,N-dimethylmethanamine;1-[5-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-1H-pyrrol-3-yl]ethanol;[5-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-1H-pyrrol-3-yl]methanol.

Molecular Properties

Compound Name4-[4-ethenyl-2-(4-fluorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrrol-3-yl]pyridine;ethyl 5-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-1H-pyrrole-3-carboxylate;5-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-1H-pyrrole-3-carboxamide;1-[5-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-1H-pyrrol-3-yl]-N,N-dimethylmethanamine;1-[5-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-1H-pyrrol-3-yl]ethanol;[5-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-1H-pyrrol-3-yl]methanol
PubChem CID165024396
Molecular FormulaC138H152F6N20O5
Molecular Weight2284.86 g/mol
Exact Mass2283.22
IUPAC Name4-[4-ethenyl-2-(4-fluorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrrol-3-yl]pyridine;ethyl 5-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-1H-pyrrole-3-carboxylate;5-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-1H-pyrrole-3-carboxamide;1-[5-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-1H-pyrrol-3-yl]-N,N-dimethylmethanamine;1-[5-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-1H-pyrrol-3-yl]ethanol;[5-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-1H-pyrrol-3-yl]methanol
SMILESC=Cc1c(C2CCN(C)CC2)[nH]c(-c2ccc(F)cc2)c1-c1ccncc1.CC(O)c1c(C2CCN(C)CC2)[nH]c(-c2ccc(F)cc2)c1-c1ccncc1.CCOC(=O)c1c(C2CCN(C)CC2)[nH]c(-c2ccc(F)cc2)c1-c1ccncc1.CN(C)Cc1c(C2CCN(C)CC2)[nH]c(-c2ccc(F)cc2)c1-c1ccncc1.CN1CCC(c2[nH]c(-c3ccc(F)cc3)c(-c3ccncc3)c2C(N)=O)CC1.CN1CCC(c2[nH]c(-c3ccc(F)cc3)c(-c3ccncc3)c2CO)CC1
InChIInChI=1S/C24H29FN4.C24H26FN3O2.C23H26FN3O.C23H24FN3.C22H23FN4O.C22H24FN3O/c1-28(2)16-21-22(17-8-12-26-13-9-17)24(18-4-6-20(25)7-5-18)27-23(21)19-10-14-29(3)15-11-19;1-3-30-24(29)21-20(16-8-12-26-13-9-16)22(17-4-6-19(25)7-5-17)27-23(21)18-10-14-28(2)15-11-18;1-15(28)20-21(16-7-11-25-12-8-16)23(17-3-5-19(24)6-4-17)26-22(20)18-9-13-27(2)14-10-18;1-3-20-21(16-8-12-25-13-9-16)23(17-4-6-19(24)7-5-17)26-22(20)18-10-14-27(2)15-11-18;1-27-12-8-16(9-13-27)21-19(22(24)28)18(14-6-10-25-11-7-14)20(26-21)15-2-4-17(23)5-3-15;1-26-12-8-17(9-13-26)21-19(14-27)20(15-6-10-24-11-7-15)22(25-21)16-2-4-18(23)5-3-16/h4-9,12-13,19,27H,10-11,14-16H2,1-3H3;4-9,12-13,18,27H,3,10-11,14-15H2,1-2H3;3-8,11-12,15,18,26,28H,9-10,13-14H2,1-2H3;3-9,12-13,18,26H,1,10-11,14-15H2,2H3;2-7,10-11,16,26H,8-9,12-13H2,1H3,(H2,24,28);2-7,10-11,17,25,27H,8-9,12-14H2,1H3
InChIKeyLQNWEECZPNMVQW-UHFFFAOYSA-N
XLogP27.68
TPSA304.61 Ų
H-Bond Donors9
H-Bond Acceptors18
Rotatable Bonds26
Heavy Atoms169
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002284.86
LogP ≤ 527.68
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1018

Analyze 4-[4-ethenyl-2-(4-fluorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrrol-3-yl]pyridine;ethyl 5-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-1H-pyrrole-3-carboxylate;5-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-1H-pyrrole-3-carboxamide;1-[5-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-1H-pyrrol-3-yl]-N,N-dimethylmethanamine;1-[5-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-1H-pyrrol-3-yl]ethanol;[5-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-1H-pyrrol-3-yl]methanol with MolForge

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Related Compounds

2,3-dihydro-1H-indol-7-yl-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanol;1-[7-[dimethylamino-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-1H-indol-3-yl]-2,2,2-trifluoroethanone;7-[1-[2-(4-fluorophenyl)ethyl]piperidine-4-carbonyl]-1H-indole-3-carbonitrile;7-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-hydroxymethyl]-1H-indole-3-carbonitrile;2,2,2-trifluoro-1-[7-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-hydroxymethyl]-1H-indol-3-yl]ethanone
CID 157088342
[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methanol;methyl 1-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]pyrrole-3-carboxylate;methyl 5-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-1H-pyrrole-3-carboxylate
CID 160166443
copper;2,2-difluoro-2-[3-[(4-fluoro-3-methylphenyl)carbamoyl]-1-methylpyrrol-2-yl]acetic acid;2,2-difluoro-2-[4-[(4-fluoro-3-methylphenyl)carbamoyl]-1-methylpyrrol-2-yl]acetic acid;2-[1,1-difluoro-2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1-methylpyrrole-3-carboxamide;5-[1,1-difluoro-2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1-methylpyrrole-3-carboxamide;5-(1,1-difluoro-2-oxopropyl)-N-(4-fluoro-3-methylphenyl)-1-methylpyrrole-3-carboxamide;ethyl 2-bromo-2,2-difluoroacetate;ethyl 2,2-difluoro-2-[3-[(4-fluoro-3-methylphenyl)carbamoyl]-1-methylpyrrol-2-yl]acetate;4-fluoro-3-methylaniline;N-(4-fluoro-3-methylphenyl)-1-methylpyrrole-3-carboxamide;1-methylpyrrole-3-carboxylic acid;piperidin-4-ol
CID 160166908
1-[1-[3-(4-Benzoylpiperidin-1-yl)-2-hydroxypropyl]indol-3-yl]ethanone;ethyl 1-[3-(3-propanoylindol-1-yl)propyl]piperidine-4-carboxylate;1-[1-[2-hydroxy-3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone;2,2,2-trifluoro-1-[1-[3-[3-(4-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone
CID 160176047
[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methanol;methyl 1-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methyl]pyrrole-3-carboxylate;methyl 5-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methyl]-1H-pyrrole-3-carboxylate
CID 161855896
ethyl 2-[3-ethoxycarbonyl-4-phenyl-5-[(5Z)-5-(1H-pyrrol-2-ylmethylidene)pyrrol-2-yl]-1H-pyrrol-2-yl]-4-phenyl-5-[(5Z)-5-(1H-pyrrol-2-ylmethylidene)pyrrol-2-yl]-1H-pyrrole-3-carboxylate
CID 139126000
Diethyl 19,26-dimethyl-2,7,12,17-tetrakis(2,3,4,5,6-pentafluorophenyl)-27,28,29,30,31-pentazahexacyclo[22.2.1.13,6.18,11.113,16.118,21]hentriaconta-1(26),3,5,9,13,15,18,20,24-nonaene-20,25-dicarboxylate
CID 177520474
diethyl (22Z)-19,26-dimethyl-2,7,12,17-tetrakis(2,3,4,5,6-pentafluorophenyl)-27,28,29,30,31-pentazahexacyclo[22.2.1.13,6.18,11.113,16.118,21]hentriaconta-1(26),3,5,9,13,15,18,20,22,24-decaene-20,25-dicarboxylate
CID 177607332
tert-butyl 4-[[1-[(4-fluorophenyl)methyl]pyrrolo[3,2-b]pyridine-3-carbonyl]amino]cyclohexane-1-carboxylate;(4-fluorophenyl)methyl 1-[(4-fluorophenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxylate;1-[(4-fluorophenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxylic acid;1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
CID 157088989
1-(2-fluoro-5-methylphenyl)-3-[4-[[2-[4-[3-(1-hydroxyethenyl)pyrrolidine-1-carbonyl]-1H-pyrrol-2-yl]-4-pyridinyl]oxy]phenyl]propan-2-one;5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-(2-hydroxyprop-2-enyl)-1H-pyrrole-3-carboxamide;N-(2-hydroxybutyl)-5-[4-[4-[3-(3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide;1-[4-[[2-[4-[(3R)-3-hydroxypiperidine-1-carbonyl]-1H-pyrrol-2-yl]-4-pyridinyl]oxy]phenyl]-3-(3-methylphenyl)propan-2-one
CID 157119880
1-[2-fluoro-4-[[2-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-1H-pyrrol-2-yl]-4-pyridinyl]oxy]phenyl]-3-(3-methylphenyl)propan-2-one;5-[4-[3-fluoro-4-[3-(3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-(4-oxopentyl)-1H-pyrrole-3-carboxamide;5-[4-[3-fluoro-4-[3-(3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylic acid;1-[2-fluoro-4-[[2-[4-(3-methylpiperidine-1-carbonyl)-1H-pyrrol-2-yl]-4-pyridinyl]oxy]phenyl]-3-(3-methylphenyl)propan-2-one
CID 157185294
CID 157727919
CID 157727919

Frequently Asked Questions

What is the IUPAC name of 4-[4-ethenyl-2-(4-fluorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrrol-3-yl]pyridine;ethyl 5-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-1H-pyrrole-3-carboxylate;5-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-1H-pyrrole-3-carboxamide;1-[5-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-1H-pyrrol-3-yl]-N,N-dimethylmethanamine;1-[5-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-1H-pyrrol-3-yl]ethanol;[5-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-1H-pyrrol-3-yl]methanol?
The IUPAC name of 4-[4-ethenyl-2-(4-fluorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrrol-3-yl]pyridine;ethyl 5-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-1H-pyrrole-3-carboxylate;5-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-1H-pyrrole-3-carboxamide;1-[5-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-1H-pyrrol-3-yl]-N,N-dimethylmethanamine;1-[5-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-1H-pyrrol-3-yl]ethanol;[5-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-1H-pyrrol-3-yl]methanol (CID 165024396) is 4-[4-ethenyl-2-(4-fluorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrrol-3-yl]pyridine;ethyl 5-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-1H-pyrrole-3-carboxylate;5-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-1H-pyrrole-3-carboxamide;1-[5-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-1H-pyrrol-3-yl]-N,N-dimethylmethanamine;1-[5-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-1H-pyrrol-3-yl]ethanol;[5-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-1H-pyrrol-3-yl]methanol.
What is the SMILES notation for 4-[4-ethenyl-2-(4-fluorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrrol-3-yl]pyridine;ethyl 5-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-1H-pyrrole-3-carboxylate;5-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-1H-pyrrole-3-carboxamide;1-[5-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-1H-pyrrol-3-yl]-N,N-dimethylmethanamine;1-[5-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-1H-pyrrol-3-yl]ethanol;[5-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-1H-pyrrol-3-yl]methanol?
The canonical SMILES for 4-[4-ethenyl-2-(4-fluorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrrol-3-yl]pyridine;ethyl 5-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-1H-pyrrole-3-carboxylate;5-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-1H-pyrrole-3-carboxamide;1-[5-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-1H-pyrrol-3-yl]-N,N-dimethylmethanamine;1-[5-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-1H-pyrrol-3-yl]ethanol;[5-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-1H-pyrrol-3-yl]methanol is C=Cc1c(C2CCN(C)CC2)[nH]c(-c2ccc(F)cc2)c1-c1ccncc1.CC(O)c1c(C2CCN(C)CC2)[nH]c(-c2ccc(F)cc2)c1-c1ccncc1.CCOC(=O)c1c(C2CCN(C)CC2)[nH]c(-c2ccc(F)cc2)c1-c1ccncc1.CN(C)Cc1c(C2CCN(C)CC2)[nH]c(-c2ccc(F)cc2)c1-c1ccncc1.CN1CCC(c2[nH]c(-c3ccc(F)cc3)c(-c3ccncc3)c2C(N)=O)CC1.CN1CCC(c2[nH]c(-c3ccc(F)cc3)c(-c3ccncc3)c2CO)CC1.
What is the InChIKey of 4-[4-ethenyl-2-(4-fluorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrrol-3-yl]pyridine;ethyl 5-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-1H-pyrrole-3-carboxylate;5-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-1H-pyrrole-3-carboxamide;1-[5-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-1H-pyrrol-3-yl]-N,N-dimethylmethanamine;1-[5-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-1H-pyrrol-3-yl]ethanol;[5-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-1H-pyrrol-3-yl]methanol?
The InChIKey is LQNWEECZPNMVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN4.C24H26FN3O2.C23H26FN3O.C23H24FN3.C22H23FN4O.C22H24FN3O/c1-28(2)16-21-22(17-8-12-26-13-9-17)24(18-4-6-20(25)7-5-18)27-23(21)19-10-14-29(3)15-11-19;1-3-30-24(29)21-20(16-8-12-26-13-9-16)22(17-4-6-19(25)7-5-17)27-23(21)18-10-14-28(2)15-11-18;1-15(28)20-21(16-7-11-25-12-8-16)23(17-3-5-19(24)6-4-17)26-22(20)18-9-13-27(2)14-10-18;1-3-20-21(16-8-12-25-13-9-16)23(17-4-6-19(24)7-5-17)26-22(20)18-10-14-27(2)15-11-18;1-27-12-8-16(9-13-27)21-19(22(24)28)18(14-6-10-25-11-7-14)20(26-21)15-2-4-17(23)5-3-15;1-26-12-8-17(9-13-26)21-19(14-27)20(15-6-10-24-11-7-15)22(25-21)16-2-4-18(23)5-3-16/h4-9,12-13,19,27H,10-11,14-16H2,1-3H3;4-9,12-13,18,27H,3,10-11,14-15H2,1-2H3;3-8,11-12,15,18,26,28H,9-10,13-14H2,1-2H3;3-9,12-13,18,26H,1,10-11,14-15H2,2H3;2-7,10-11,16,26H,8-9,12-13H2,1H3,(H2,24,28);2-7,10-11,17,25,27H,8-9,12-14H2,1H3.
What are the key properties of 4-[4-ethenyl-2-(4-fluorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrrol-3-yl]pyridine;ethyl 5-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-1H-pyrrole-3-carboxylate;5-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-1H-pyrrole-3-carboxamide;1-[5-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-1H-pyrrol-3-yl]-N,N-dimethylmethanamine;1-[5-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-1H-pyrrol-3-yl]ethanol;[5-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-1H-pyrrol-3-yl]methanol?
4-[4-ethenyl-2-(4-fluorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrrol-3-yl]pyridine;ethyl 5-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-1H-pyrrole-3-carboxylate;5-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-1H-pyrrole-3-carboxamide;1-[5-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-1H-pyrrol-3-yl]-N,N-dimethylmethanamine;1-[5-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-1H-pyrrol-3-yl]ethanol;[5-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-1H-pyrrol-3-yl]methanol has a molecular weight of 2284.86 g/mol, XLogP of 27.68, 26 rotatable bonds, 9 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-ethenyl-2-(4-fluorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrrol-3-yl]pyridine;ethyl 5-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-1H-pyrrole-3-carboxylate;5-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-1H-pyrrole-3-carboxamide;1-[5-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-1H-pyrrol-3-yl]-N,N-dimethylmethanamine;1-[5-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-1H-pyrrol-3-yl]ethanol;[5-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-1H-pyrrol-3-yl]methanol is sourced from PubChem (CID 165024396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).