4-[5-but-1-ynyl-2-(4-fluorophenyl)thiophen-3-yl]pyridine;4-[2-(4-fluorophenyl)-5-pentylthiophen-3-yl]pyridine;1-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]ethanone;1-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]pentan-1-one;[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-piperazin-1-ylmethanone

C96H82F5N7O3S5 — CID 161235302

IUPAC4-[5-but-1-ynyl-2-(4-fluorophenyl)thiophen-3-yl]pyridine;4-[2-(4-fluorophenyl)-5-pentylthiophen-3-yl]pyridine;1-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]ethanone;1-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]pentan-1-one;[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-piperazin-1-ylmethanone
SMILESCC(=O)c1cc(-c2ccncc2)c(-c2ccc(F)cc2)s1.CCC#Cc1cc(-c2ccncc2)c(-c2ccc(F)cc2)s1.CCCCC(=O)c1cc(-c2ccncc2)c(-c2ccc(F)cc2)s1.CCCCCc1cc(-c2ccncc2)c(-c2ccc(F)cc2)s1.O=C(c1cc(-c2ccncc2)c(-c2ccc(F)cc2)s1)N1CCNCC1
InChIInChI=1S/C20H18FN3OS.C20H18FNOS.C20H20FNS.C19H14FNS.C17H12FNOS/c21-16-3-1-15(2-4-16)19-17(14-5-7-22-8-6-14)13-18(26-19)20(25)24-11-9-23-10-12-24;1-2-3-4-18(23)19-13-17(14-9-11-22-12-10-14)20(24-19)15-5-7-16(21)8-6-15;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;1-11(20)16-10-15(12-6-8-19-9-7-12)17(21-16)13-2-4-14(18)5-3-13/h1-8,13,23H,9-12H2;5-13H,2-4H2,1H3;6-14H,2-5H2,1H3;5-13H,2H2,1H3;2-10H,1H3
InChIKeyUZHBXVXJUMNGSU-UHFFFAOYSA-N
MW1637.08 g/mol
LogP26.20
Rot. Bonds20

About 4-[5-but-1-ynyl-2-(4-fluorophenyl)thiophen-3-yl]pyridine;4-[2-(4-fluorophenyl)-5-pentylthiophen-3-yl]pyridine;1-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]ethanone;1-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]pentan-1-one;[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-piperazin-1-ylmethanone

4-[5-but-1-ynyl-2-(4-fluorophenyl)thiophen-3-yl]pyridine;4-[2-(4-fluorophenyl)-5-pentylthiophen-3-yl]pyridine;1-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]ethanone;1-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]pentan-1-one;[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-piperazin-1-ylmethanone (PubChem CID 161235302) has the molecular formula C96H82F5N7O3S5 and a molecular weight of 1637.08 g/mol. Its IUPAC name is 4-[5-but-1-ynyl-2-(4-fluorophenyl)thiophen-3-yl]pyridine;4-[2-(4-fluorophenyl)-5-pentylthiophen-3-yl]pyridine;1-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]ethanone;1-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]pentan-1-one;[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name4-[5-but-1-ynyl-2-(4-fluorophenyl)thiophen-3-yl]pyridine;4-[2-(4-fluorophenyl)-5-pentylthiophen-3-yl]pyridine;1-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]ethanone;1-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]pentan-1-one;[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-piperazin-1-ylmethanone
PubChem CID161235302
Molecular FormulaC96H82F5N7O3S5
Molecular Weight1637.08 g/mol
Exact Mass1635.50
IUPAC Name4-[5-but-1-ynyl-2-(4-fluorophenyl)thiophen-3-yl]pyridine;4-[2-(4-fluorophenyl)-5-pentylthiophen-3-yl]pyridine;1-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]ethanone;1-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]pentan-1-one;[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-piperazin-1-ylmethanone
SMILESCC(=O)c1cc(-c2ccncc2)c(-c2ccc(F)cc2)s1.CCC#Cc1cc(-c2ccncc2)c(-c2ccc(F)cc2)s1.CCCCC(=O)c1cc(-c2ccncc2)c(-c2ccc(F)cc2)s1.CCCCCc1cc(-c2ccncc2)c(-c2ccc(F)cc2)s1.O=C(c1cc(-c2ccncc2)c(-c2ccc(F)cc2)s1)N1CCNCC1
InChIInChI=1S/C20H18FN3OS.C20H18FNOS.C20H20FNS.C19H14FNS.C17H12FNOS/c21-16-3-1-15(2-4-16)19-17(14-5-7-22-8-6-14)13-18(26-19)20(25)24-11-9-23-10-12-24;1-2-3-4-18(23)19-13-17(14-9-11-22-12-10-14)20(24-19)15-5-7-16(21)8-6-15;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;1-11(20)16-10-15(12-6-8-19-9-7-12)17(21-16)13-2-4-14(18)5-3-13/h1-8,13,23H,9-12H2;5-13H,2-4H2,1H3;6-14H,2-5H2,1H3;5-13H,2H2,1H3;2-10H,1H3
InChIKeyUZHBXVXJUMNGSU-UHFFFAOYSA-N
XLogP26.20
TPSA130.93 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds20
Heavy Atoms116
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001637.08
LogP ≤ 526.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 4-[5-but-1-ynyl-2-(4-fluorophenyl)thiophen-3-yl]pyridine;4-[2-(4-fluorophenyl)-5-pentylthiophen-3-yl]pyridine;1-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]ethanone;1-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]pentan-1-one;[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-piperazin-1-ylmethanone with MolForge

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Related Compounds

4,4'-(perfluorocyclopent-1-ene-1,2-diyl)bis(N-(3-([2,2':6',2''-terpyridin]-4'-yl-amino)propyl)-5-methylthiophene-2-carboxamide)
CID 176514722
5-(4-cyanophenyl)-N-pyridin-4-ylthiophene-2-carboxamide;5-(3,4-dimethylphenyl)-N-pyridin-3-ylthiophene-2-carboxamide;5-(3-fluorophenyl)-N-pyridin-3-ylthiophene-2-carboxamide;5-(3-propan-2-ylphenyl)-N-pyridin-4-ylthiophene-2-carboxamide;N-pyridin-3-yl-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 159663778
[4-[2-(aminomethyl)-7-(4-fluorophenyl)-1-benzothiophen-5-yl]phenyl]-(4,4-difluoropiperidin-1-yl)methanone;3-[5-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-7-(4-fluorophenyl)-1-benzothiophen-2-yl]-1-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)propan-1-one;2,3-dihydro-1H-pyrrolo[3,4-c]pyridine
CID 160604757
(E)-3-[4-(4-acetamidobutyl)phenyl]-N-(2-amino-5-thiophen-2-ylphenyl)prop-2-enamide;(E)-3-(4-acetamidophenyl)-N-(2-amino-5-ethynylphenyl)prop-2-enamide;N-(2-amino-5-pyridin-3-ylphenyl)-4-[4-(4-methylpiperazin-1-yl)butanoyl]benzamide;N-(2-amino-5-pyridin-3-ylphenyl)-4-(4-phenylbutanoyl)benzamide;3-[(E)-3-(2-amino-5-thiophen-2-ylanilino)-3-oxoprop-1-enyl]benzamide;N-(2-amino-5-thiophen-2-ylphenyl)-4-(4-phenylbutanoyl)benzamide;N-(2-amino-5-thiophen-2-ylphenyl)-4-(4-pyridin-4-ylbutanoyl)benzamide
CID 157510622
2-[3-[4-(4-methylpiperazin-1-yl)butyl]phenyl]-N-[4-(2-methyl-4-pyridinyl)thiophen-2-yl]acetamide;2-[3-[3-(4-methylpiperazin-1-yl)propyl]phenyl]-N-[4-(2-methyl-4-pyridinyl)thiophen-2-yl]acetamide;N-[4-(2-methyl-4-pyridinyl)thiophen-2-yl]-2-[3-(3-piperazin-1-ylpropyl)phenyl]acetamide;N-[4-(2-methyl-4-pyridinyl)thiophen-2-yl]-2-[3-(4-piperidin-1-ylbutyl)phenyl]acetamide
CID 160054916
3-[5-(4-fluorophenyl)-2-pent-1-ynyl-4-pyridin-4-ylthiophen-3-yl]aniline;3-[5-(4-fluorophenyl)-2-pent-1-ynyl-4-pyridin-4-ylthiophen-3-yl]benzamide;4-[5-(4-fluorophenyl)-2-pent-1-ynyl-4-pyridin-4-ylthiophen-3-yl]benzamide;3-[5-(4-fluorophenyl)-2-pent-1-ynyl-4-pyridin-4-ylthiophen-3-yl]-N-(2-hydroxyethyl)benzamide;4-[5-(4-fluorophenyl)-2-pent-1-ynyl-4-pyridin-4-ylthiophen-3-yl]-N-(2-hydroxyethyl)benzamide
CID 164159515

Frequently Asked Questions

What is the IUPAC name of 4-[5-but-1-ynyl-2-(4-fluorophenyl)thiophen-3-yl]pyridine;4-[2-(4-fluorophenyl)-5-pentylthiophen-3-yl]pyridine;1-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]ethanone;1-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]pentan-1-one;[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-piperazin-1-ylmethanone?
The IUPAC name of 4-[5-but-1-ynyl-2-(4-fluorophenyl)thiophen-3-yl]pyridine;4-[2-(4-fluorophenyl)-5-pentylthiophen-3-yl]pyridine;1-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]ethanone;1-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]pentan-1-one;[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-piperazin-1-ylmethanone (CID 161235302) is 4-[5-but-1-ynyl-2-(4-fluorophenyl)thiophen-3-yl]pyridine;4-[2-(4-fluorophenyl)-5-pentylthiophen-3-yl]pyridine;1-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]ethanone;1-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]pentan-1-one;[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-piperazin-1-ylmethanone.
What is the SMILES notation for 4-[5-but-1-ynyl-2-(4-fluorophenyl)thiophen-3-yl]pyridine;4-[2-(4-fluorophenyl)-5-pentylthiophen-3-yl]pyridine;1-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]ethanone;1-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]pentan-1-one;[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-piperazin-1-ylmethanone?
The canonical SMILES for 4-[5-but-1-ynyl-2-(4-fluorophenyl)thiophen-3-yl]pyridine;4-[2-(4-fluorophenyl)-5-pentylthiophen-3-yl]pyridine;1-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]ethanone;1-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]pentan-1-one;[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-piperazin-1-ylmethanone is CC(=O)c1cc(-c2ccncc2)c(-c2ccc(F)cc2)s1.CCC#Cc1cc(-c2ccncc2)c(-c2ccc(F)cc2)s1.CCCCC(=O)c1cc(-c2ccncc2)c(-c2ccc(F)cc2)s1.CCCCCc1cc(-c2ccncc2)c(-c2ccc(F)cc2)s1.O=C(c1cc(-c2ccncc2)c(-c2ccc(F)cc2)s1)N1CCNCC1.
What is the InChIKey of 4-[5-but-1-ynyl-2-(4-fluorophenyl)thiophen-3-yl]pyridine;4-[2-(4-fluorophenyl)-5-pentylthiophen-3-yl]pyridine;1-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]ethanone;1-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]pentan-1-one;[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-piperazin-1-ylmethanone?
The InChIKey is UZHBXVXJUMNGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3OS.C20H18FNOS.C20H20FNS.C19H14FNS.C17H12FNOS/c21-16-3-1-15(2-4-16)19-17(14-5-7-22-8-6-14)13-18(26-19)20(25)24-11-9-23-10-12-24;1-2-3-4-18(23)19-13-17(14-9-11-22-12-10-14)20(24-19)15-5-7-16(21)8-6-15;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;1-11(20)16-10-15(12-6-8-19-9-7-12)17(21-16)13-2-4-14(18)5-3-13/h1-8,13,23H,9-12H2;5-13H,2-4H2,1H3;6-14H,2-5H2,1H3;5-13H,2H2,1H3;2-10H,1H3.
What are the key properties of 4-[5-but-1-ynyl-2-(4-fluorophenyl)thiophen-3-yl]pyridine;4-[2-(4-fluorophenyl)-5-pentylthiophen-3-yl]pyridine;1-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]ethanone;1-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]pentan-1-one;[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-piperazin-1-ylmethanone?
4-[5-but-1-ynyl-2-(4-fluorophenyl)thiophen-3-yl]pyridine;4-[2-(4-fluorophenyl)-5-pentylthiophen-3-yl]pyridine;1-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]ethanone;1-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]pentan-1-one;[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-piperazin-1-ylmethanone has a molecular weight of 1637.08 g/mol, XLogP of 26.20, 20 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-but-1-ynyl-2-(4-fluorophenyl)thiophen-3-yl]pyridine;4-[2-(4-fluorophenyl)-5-pentylthiophen-3-yl]pyridine;1-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]ethanone;1-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]pentan-1-one;[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 161235302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).