4-[5-but-1-ynyl-2-(4-fluorophenyl)thiophen-3-yl]pyridine;1-[5-(4-fluorophenyl)-2-(furan-2-yl)-4-pyridin-4-ylthiophen-3-yl]-3-phenylpropan-1-ol;bis(4-[2-(4-fluorophenyl)-5-pent-1-ynylthiophen-3-yl]pyridine);4-[2-(4-fluorophenyl)-5-(4-piperidin-1-ylbut-1-ynyl)thiophen-3-yl]pyridine

C111H91F5N6O2S5 — CID 158251225

IUPAC4-[5-but-1-ynyl-2-(4-fluorophenyl)thiophen-3-yl]pyridine;1-[5-(4-fluorophenyl)-2-(furan-2-yl)-4-pyridin-4-ylthiophen-3-yl]-3-phenylpropan-1-ol;bis(4-[2-(4-fluorophenyl)-5-pent-1-ynylthiophen-3-yl]pyridine);4-[2-(4-fluorophenyl)-5-(4-piperidin-1-ylbut-1-ynyl)thiophen-3-yl]pyridine
SMILESCCC#Cc1cc(-c2ccncc2)c(-c2ccc(F)cc2)s1.CCCC#Cc1cc(-c2ccncc2)c(-c2ccc(F)cc2)s1.CCCC#Cc1cc(-c2ccncc2)c(-c2ccc(F)cc2)s1.Fc1ccc(-c2sc(C#CCCN3CCCCC3)cc2-c2ccncc2)cc1.OC(CCc1ccccc1)c1c(-c2ccco2)sc(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C28H22FNO2S.C24H23FN2S.2C20H16FNS.C19H14FNS/c29-22-11-9-21(10-12-22)27-25(20-14-16-30-17-15-20)26(28(33-27)24-7-4-18-32-24)23(31)13-8-19-5-2-1-3-6-19;25-21-9-7-20(8-10-21)24-23(19-11-13-26-14-12-19)18-22(28-24)6-2-5-17-27-15-3-1-4-16-27;2*1-2-3-4-5-18-14-19(15-10-12-22-13-11-15)20(23-18)16-6-8-17(21)9-7-16;1-2-3-4-17-13-18(14-9-11-21-12-10-14)19(22-17)15-5-7-16(20)8-6-15/h1-7,9-12,14-18,23,31H,8,13H2;7-14,18H,1,3-5,15-17H2;2*6-14H,2-3H2,1H3;5-13H,2H2,1H3
InChIKeyGGSVCDHIHNRDGW-UHFFFAOYSA-N
MW1796.31 g/mol
LogP30.30
Rot. Bonds19

About 4-[5-but-1-ynyl-2-(4-fluorophenyl)thiophen-3-yl]pyridine;1-[5-(4-fluorophenyl)-2-(furan-2-yl)-4-pyridin-4-ylthiophen-3-yl]-3-phenylpropan-1-ol;bis(4-[2-(4-fluorophenyl)-5-pent-1-ynylthiophen-3-yl]pyridine);4-[2-(4-fluorophenyl)-5-(4-piperidin-1-ylbut-1-ynyl)thiophen-3-yl]pyridine

4-[5-but-1-ynyl-2-(4-fluorophenyl)thiophen-3-yl]pyridine;1-[5-(4-fluorophenyl)-2-(furan-2-yl)-4-pyridin-4-ylthiophen-3-yl]-3-phenylpropan-1-ol;bis(4-[2-(4-fluorophenyl)-5-pent-1-ynylthiophen-3-yl]pyridine);4-[2-(4-fluorophenyl)-5-(4-piperidin-1-ylbut-1-ynyl)thiophen-3-yl]pyridine (PubChem CID 158251225) has the molecular formula C111H91F5N6O2S5 and a molecular weight of 1796.31 g/mol. Its IUPAC name is 4-[5-but-1-ynyl-2-(4-fluorophenyl)thiophen-3-yl]pyridine;1-[5-(4-fluorophenyl)-2-(furan-2-yl)-4-pyridin-4-ylthiophen-3-yl]-3-phenylpropan-1-ol;bis(4-[2-(4-fluorophenyl)-5-pent-1-ynylthiophen-3-yl]pyridine);4-[2-(4-fluorophenyl)-5-(4-piperidin-1-ylbut-1-ynyl)thiophen-3-yl]pyridine.

Molecular Properties

Compound Name4-[5-but-1-ynyl-2-(4-fluorophenyl)thiophen-3-yl]pyridine;1-[5-(4-fluorophenyl)-2-(furan-2-yl)-4-pyridin-4-ylthiophen-3-yl]-3-phenylpropan-1-ol;bis(4-[2-(4-fluorophenyl)-5-pent-1-ynylthiophen-3-yl]pyridine);4-[2-(4-fluorophenyl)-5-(4-piperidin-1-ylbut-1-ynyl)thiophen-3-yl]pyridine
PubChem CID158251225
Molecular FormulaC111H91F5N6O2S5
Molecular Weight1796.31 g/mol
Exact Mass1794.57
IUPAC Name4-[5-but-1-ynyl-2-(4-fluorophenyl)thiophen-3-yl]pyridine;1-[5-(4-fluorophenyl)-2-(furan-2-yl)-4-pyridin-4-ylthiophen-3-yl]-3-phenylpropan-1-ol;bis(4-[2-(4-fluorophenyl)-5-pent-1-ynylthiophen-3-yl]pyridine);4-[2-(4-fluorophenyl)-5-(4-piperidin-1-ylbut-1-ynyl)thiophen-3-yl]pyridine
SMILESCCC#Cc1cc(-c2ccncc2)c(-c2ccc(F)cc2)s1.CCCC#Cc1cc(-c2ccncc2)c(-c2ccc(F)cc2)s1.CCCC#Cc1cc(-c2ccncc2)c(-c2ccc(F)cc2)s1.Fc1ccc(-c2sc(C#CCCN3CCCCC3)cc2-c2ccncc2)cc1.OC(CCc1ccccc1)c1c(-c2ccco2)sc(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C28H22FNO2S.C24H23FN2S.2C20H16FNS.C19H14FNS/c29-22-11-9-21(10-12-22)27-25(20-14-16-30-17-15-20)26(28(33-27)24-7-4-18-32-24)23(31)13-8-19-5-2-1-3-6-19;25-21-9-7-20(8-10-21)24-23(19-11-13-26-14-12-19)18-22(28-24)6-2-5-17-27-15-3-1-4-16-27;2*1-2-3-4-5-18-14-19(15-10-12-22-13-11-15)20(23-18)16-6-8-17(21)9-7-16;1-2-3-4-17-13-18(14-9-11-21-12-10-14)19(22-17)15-5-7-16(20)8-6-15/h1-7,9-12,14-18,23,31H,8,13H2;7-14,18H,1,3-5,15-17H2;2*6-14H,2-3H2,1H3;5-13H,2H2,1H3
InChIKeyGGSVCDHIHNRDGW-UHFFFAOYSA-N
XLogP30.30
TPSA101.06 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds19
Heavy Atoms129
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001796.31
LogP ≤ 530.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 4-[5-but-1-ynyl-2-(4-fluorophenyl)thiophen-3-yl]pyridine;1-[5-(4-fluorophenyl)-2-(furan-2-yl)-4-pyridin-4-ylthiophen-3-yl]-3-phenylpropan-1-ol;bis(4-[2-(4-fluorophenyl)-5-pent-1-ynylthiophen-3-yl]pyridine);4-[2-(4-fluorophenyl)-5-(4-piperidin-1-ylbut-1-ynyl)thiophen-3-yl]pyridine with MolForge

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Related Compounds

4-[2-(4-Fluorophenyl)-5-(furan-2-yl)thiophen-3-yl]pyridine;4-[2-(4-fluorophenyl)-5-iodothiophen-3-yl]pyridine
CID 157194637
3-[2-[7-(2-cyclopropylethynyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[7-(2,4-dimethylcyclopenta-1,4-dien-1-yl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[7-(5-methylfuran-2-yl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;bis(3-[2-[7-(5-methylthiophen-2-yl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid);3-[2-(7-propyl-3,4-dihydro-2H-chromen-4-yl)ethyl]pyridine-4-carboxylic acid
CID 157450989
3-[2-(1-Adamantyl)ethyl]pyridine-4-carboxylic acid;3-[2-(2-adamantyl)ethyl]pyridine-4-carboxylic acid;3-[2-[4-(dimethylamino)phenyl]ethyl]pyridine-4-carboxylic acid;3-[2-(4-ethynylphenyl)ethyl]pyridine-4-carboxylic acid;3-[2-(5-methylfuran-2-yl)ethyl]pyridine-4-carboxylic acid;tetrakis(3-[2-(5-methylthiophen-2-yl)ethyl]pyridine-4-carboxylic acid)
CID 157807482
[5-(4-Fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-(furan-2-yl)methanone;[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-phenylmethanone
CID 158497224
Ethane;methane;2-phenylfuran;3-phenylfuran;tetrakis(2-phenylpyridine);bis(3-phenylpyridine);4-phenylpyridine;2-phenylthiophene;3-phenylthiophene;propane
CID 158587620
3-methoxy-N-[3-methoxy-5-(5-methyl-4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-5-(5-methyl-4-phenyl-2-pyridinyl)-N-(2-phenylphenyl)benzene-6-id-1-amine;3-(5-methylfuran-2-yl)-N-[3-(5-methylfuran-2-yl)-5-(5-methyl-4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-5-(5-methyl-4-phenyl-2-pyridinyl)-N-(2-phenylphenyl)benzene-6-id-1-amine;3-(5-methyl-4-phenyl-2-pyridinyl)-N-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-(5-methylthiophen-2-yl)benzene-2-id-1-yl]-5-(5-methylthiophen-2-yl)-N-(2-phenylphenyl)benzene-2-id-1-amine;tris(platinum(2+))
CID 159014280
(2R)-1-amino-2-(furan-2-yl)-5-pyridin-3-ylpentan-3-one;(2S)-1-amino-5-pyridin-3-yl-2-thiophen-2-ylpentan-3-one;(2S)-1-amino-5-pyridin-3-yl-2-thiophen-3-ylpentan-3-one;benzyl 3-hydroxy-2-methyl-2-phenylpropanoate;(2-fluorophenyl)methyl 3-hydroxy-2-methyl-2-phenylpropanoate;(2R)-1-hydroxy-5-pyridin-3-yl-2-thiophen-2-ylpentan-3-one;(2R)-1-hydroxy-5-pyridin-3-yl-2-thiophen-3-ylpentan-3-one
CID 159107110
4-[2-(4-Fluorophenyl)-5-pentylthiophen-3-yl]pyridine;1-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]ethanone;[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-(furan-2-yl)methanone;1-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]pentan-1-one;[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-phenylmethanone;[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-piperidin-1-ylmethanone
CID 159201044
[(2S)-2,3-dimethylbutyl]benzene;[(2R)-2,3-dimethylbutyl]benzene;2,3-dimethylbutylbenzene;(1S,2S)-2,3-dimethyl-1-phenylbutan-1-ol;2-(3-methylbutyl)furan;4-(3-methylbutyl)pyridine;2-(3-methylbutyl)thiophene;[(2S)-4-methylpentan-2-yl]benzene;[(2R)-4-methylpentan-2-yl]benzene;4-methylpentan-2-ylbenzene
CID 160015777
2-(4-Fluorophenyl)-4-methylpyridine;2-(4-fluorophenyl)-6-methylpyridine;3-(4-fluorophenyl)-5-methylpyridine;4-(4-fluorophenyl)-2-methylpyridine;3-(furan-3-yl)-5-methylpyridine;2-methyl-6-phenylpyridine;3-methyl-5-phenylpyridine;3-methyl-5-thiophen-2-ylpyridine;3-methyl-5-thiophen-3-ylpyridine
CID 160084047
Bis(4-[5-but-1-ynyl-2-(4-fluorophenyl)thiophen-3-yl]pyridine);1-[5-(4-fluorophenyl)-2-(furan-2-yl)-4-pyridin-4-ylthiophen-3-yl]-3-phenylpropan-1-ol;bis(4-[2-(4-fluorophenyl)-5-pent-1-ynylthiophen-3-yl]pyridine);4-[2-(4-fluorophenyl)-5-(4-piperidin-1-ylbut-1-ynyl)thiophen-3-yl]pyridine
CID 160468502
Ethane;2-phenylfuran;3-phenylfuran;tetrakis(2-phenylpyridine);bis(3-phenylpyridine);4-phenylpyridine;2-phenylthiophene;3-phenylthiophene;propane
CID 160754925

Frequently Asked Questions

What is the IUPAC name of 4-[5-but-1-ynyl-2-(4-fluorophenyl)thiophen-3-yl]pyridine;1-[5-(4-fluorophenyl)-2-(furan-2-yl)-4-pyridin-4-ylthiophen-3-yl]-3-phenylpropan-1-ol;bis(4-[2-(4-fluorophenyl)-5-pent-1-ynylthiophen-3-yl]pyridine);4-[2-(4-fluorophenyl)-5-(4-piperidin-1-ylbut-1-ynyl)thiophen-3-yl]pyridine?
The IUPAC name of 4-[5-but-1-ynyl-2-(4-fluorophenyl)thiophen-3-yl]pyridine;1-[5-(4-fluorophenyl)-2-(furan-2-yl)-4-pyridin-4-ylthiophen-3-yl]-3-phenylpropan-1-ol;bis(4-[2-(4-fluorophenyl)-5-pent-1-ynylthiophen-3-yl]pyridine);4-[2-(4-fluorophenyl)-5-(4-piperidin-1-ylbut-1-ynyl)thiophen-3-yl]pyridine (CID 158251225) is 4-[5-but-1-ynyl-2-(4-fluorophenyl)thiophen-3-yl]pyridine;1-[5-(4-fluorophenyl)-2-(furan-2-yl)-4-pyridin-4-ylthiophen-3-yl]-3-phenylpropan-1-ol;bis(4-[2-(4-fluorophenyl)-5-pent-1-ynylthiophen-3-yl]pyridine);4-[2-(4-fluorophenyl)-5-(4-piperidin-1-ylbut-1-ynyl)thiophen-3-yl]pyridine.
What is the SMILES notation for 4-[5-but-1-ynyl-2-(4-fluorophenyl)thiophen-3-yl]pyridine;1-[5-(4-fluorophenyl)-2-(furan-2-yl)-4-pyridin-4-ylthiophen-3-yl]-3-phenylpropan-1-ol;bis(4-[2-(4-fluorophenyl)-5-pent-1-ynylthiophen-3-yl]pyridine);4-[2-(4-fluorophenyl)-5-(4-piperidin-1-ylbut-1-ynyl)thiophen-3-yl]pyridine?
The canonical SMILES for 4-[5-but-1-ynyl-2-(4-fluorophenyl)thiophen-3-yl]pyridine;1-[5-(4-fluorophenyl)-2-(furan-2-yl)-4-pyridin-4-ylthiophen-3-yl]-3-phenylpropan-1-ol;bis(4-[2-(4-fluorophenyl)-5-pent-1-ynylthiophen-3-yl]pyridine);4-[2-(4-fluorophenyl)-5-(4-piperidin-1-ylbut-1-ynyl)thiophen-3-yl]pyridine is CCC#Cc1cc(-c2ccncc2)c(-c2ccc(F)cc2)s1.CCCC#Cc1cc(-c2ccncc2)c(-c2ccc(F)cc2)s1.CCCC#Cc1cc(-c2ccncc2)c(-c2ccc(F)cc2)s1.Fc1ccc(-c2sc(C#CCCN3CCCCC3)cc2-c2ccncc2)cc1.OC(CCc1ccccc1)c1c(-c2ccco2)sc(-c2ccc(F)cc2)c1-c1ccncc1.
What is the InChIKey of 4-[5-but-1-ynyl-2-(4-fluorophenyl)thiophen-3-yl]pyridine;1-[5-(4-fluorophenyl)-2-(furan-2-yl)-4-pyridin-4-ylthiophen-3-yl]-3-phenylpropan-1-ol;bis(4-[2-(4-fluorophenyl)-5-pent-1-ynylthiophen-3-yl]pyridine);4-[2-(4-fluorophenyl)-5-(4-piperidin-1-ylbut-1-ynyl)thiophen-3-yl]pyridine?
The InChIKey is GGSVCDHIHNRDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22FNO2S.C24H23FN2S.2C20H16FNS.C19H14FNS/c29-22-11-9-21(10-12-22)27-25(20-14-16-30-17-15-20)26(28(33-27)24-7-4-18-32-24)23(31)13-8-19-5-2-1-3-6-19;25-21-9-7-20(8-10-21)24-23(19-11-13-26-14-12-19)18-22(28-24)6-2-5-17-27-15-3-1-4-16-27;2*1-2-3-4-5-18-14-19(15-10-12-22-13-11-15)20(23-18)16-6-8-17(21)9-7-16;1-2-3-4-17-13-18(14-9-11-21-12-10-14)19(22-17)15-5-7-16(20)8-6-15/h1-7,9-12,14-18,23,31H,8,13H2;7-14,18H,1,3-5,15-17H2;2*6-14H,2-3H2,1H3;5-13H,2H2,1H3.
What are the key properties of 4-[5-but-1-ynyl-2-(4-fluorophenyl)thiophen-3-yl]pyridine;1-[5-(4-fluorophenyl)-2-(furan-2-yl)-4-pyridin-4-ylthiophen-3-yl]-3-phenylpropan-1-ol;bis(4-[2-(4-fluorophenyl)-5-pent-1-ynylthiophen-3-yl]pyridine);4-[2-(4-fluorophenyl)-5-(4-piperidin-1-ylbut-1-ynyl)thiophen-3-yl]pyridine?
4-[5-but-1-ynyl-2-(4-fluorophenyl)thiophen-3-yl]pyridine;1-[5-(4-fluorophenyl)-2-(furan-2-yl)-4-pyridin-4-ylthiophen-3-yl]-3-phenylpropan-1-ol;bis(4-[2-(4-fluorophenyl)-5-pent-1-ynylthiophen-3-yl]pyridine);4-[2-(4-fluorophenyl)-5-(4-piperidin-1-ylbut-1-ynyl)thiophen-3-yl]pyridine has a molecular weight of 1796.31 g/mol, XLogP of 30.30, 19 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-but-1-ynyl-2-(4-fluorophenyl)thiophen-3-yl]pyridine;1-[5-(4-fluorophenyl)-2-(furan-2-yl)-4-pyridin-4-ylthiophen-3-yl]-3-phenylpropan-1-ol;bis(4-[2-(4-fluorophenyl)-5-pent-1-ynylthiophen-3-yl]pyridine);4-[2-(4-fluorophenyl)-5-(4-piperidin-1-ylbut-1-ynyl)thiophen-3-yl]pyridine is sourced from PubChem (CID 158251225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).