tert-butyl 4-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophene-2-carbonyl]piperazine-1-carboxylate;ethyl 5-(4-fluorophenyl)-4-pyridin-4-ylthiophene-2-carboxylate;5-(4-fluorophenyl)-4-pyridin-4-ylthiophene-2-carboxylic acid;[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-piperazin-1-ylmethanone;4-[2-(4-fluorophenyl)thiophen-3-yl]pyridine

C94H78F5N9O8S5 — CID 161426781

IUPACtert-butyl 4-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophene-2-carbonyl]piperazine-1-carboxylate;ethyl 5-(4-fluorophenyl)-4-pyridin-4-ylthiophene-2-carboxylate;5-(4-fluorophenyl)-4-pyridin-4-ylthiophene-2-carboxylic acid;[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-piperazin-1-ylmethanone;4-[2-(4-fluorophenyl)thiophen-3-yl]pyridine
SMILESCC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3ccncc3)c(-c3ccc(F)cc3)s2)CC1.CCOC(=O)c1cc(-c2ccncc2)c(-c2ccc(F)cc2)s1.Fc1ccc(-c2sccc2-c2ccncc2)cc1.O=C(O)c1cc(-c2ccncc2)c(-c2ccc(F)cc2)s1.O=C(c1cc(-c2ccncc2)c(-c2ccc(F)cc2)s1)N1CCNCC1
InChIInChI=1S/C25H26FN3O3S.C20H18FN3OS.C18H14FNO2S.C16H10FNO2S.C15H10FNS/c1-25(2,3)32-24(31)29-14-12-28(13-15-29)23(30)21-16-20(17-8-10-27-11-9-17)22(33-21)18-4-6-19(26)7-5-18;21-16-3-1-15(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;1-2-22-18(21)16-11-15(12-7-9-20-10-8-12)17(23-16)13-3-5-14(19)6-4-13;17-12-3-1-11(2-4-12)15-13(9-14(21-15)16(19)20)10-5-7-18-8-6-10;16-13-3-1-12(2-4-13)15-14(7-10-18-15)11-5-8-17-9-6-11/h4-11,16H,12-15H2,1-3H3;1-8,13,23H,9-12H2;3-11H,2H2,1H3;1-9H,(H,19,20);1-10H
InChIKeyVXLPZYCXJGOTDC-UHFFFAOYSA-N
MW1717.04 g/mol
LogP22.69
Rot. Bonds15

About tert-butyl 4-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophene-2-carbonyl]piperazine-1-carboxylate;ethyl 5-(4-fluorophenyl)-4-pyridin-4-ylthiophene-2-carboxylate;5-(4-fluorophenyl)-4-pyridin-4-ylthiophene-2-carboxylic acid;[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-piperazin-1-ylmethanone;4-[2-(4-fluorophenyl)thiophen-3-yl]pyridine

tert-butyl 4-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophene-2-carbonyl]piperazine-1-carboxylate;ethyl 5-(4-fluorophenyl)-4-pyridin-4-ylthiophene-2-carboxylate;5-(4-fluorophenyl)-4-pyridin-4-ylthiophene-2-carboxylic acid;[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-piperazin-1-ylmethanone;4-[2-(4-fluorophenyl)thiophen-3-yl]pyridine (PubChem CID 161426781) has the molecular formula C94H78F5N9O8S5 and a molecular weight of 1717.04 g/mol. Its IUPAC name is tert-butyl 4-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophene-2-carbonyl]piperazine-1-carboxylate;ethyl 5-(4-fluorophenyl)-4-pyridin-4-ylthiophene-2-carboxylate;5-(4-fluorophenyl)-4-pyridin-4-ylthiophene-2-carboxylic acid;[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-piperazin-1-ylmethanone;4-[2-(4-fluorophenyl)thiophen-3-yl]pyridine.

Molecular Properties

Compound Nametert-butyl 4-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophene-2-carbonyl]piperazine-1-carboxylate;ethyl 5-(4-fluorophenyl)-4-pyridin-4-ylthiophene-2-carboxylate;5-(4-fluorophenyl)-4-pyridin-4-ylthiophene-2-carboxylic acid;[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-piperazin-1-ylmethanone;4-[2-(4-fluorophenyl)thiophen-3-yl]pyridine
PubChem CID161426781
Molecular FormulaC94H78F5N9O8S5
Molecular Weight1717.04 g/mol
Exact Mass1715.45
IUPAC Nametert-butyl 4-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophene-2-carbonyl]piperazine-1-carboxylate;ethyl 5-(4-fluorophenyl)-4-pyridin-4-ylthiophene-2-carboxylate;5-(4-fluorophenyl)-4-pyridin-4-ylthiophene-2-carboxylic acid;[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-piperazin-1-ylmethanone;4-[2-(4-fluorophenyl)thiophen-3-yl]pyridine
SMILESCC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3ccncc3)c(-c3ccc(F)cc3)s2)CC1.CCOC(=O)c1cc(-c2ccncc2)c(-c2ccc(F)cc2)s1.Fc1ccc(-c2sccc2-c2ccncc2)cc1.O=C(O)c1cc(-c2ccncc2)c(-c2ccc(F)cc2)s1.O=C(c1cc(-c2ccncc2)c(-c2ccc(F)cc2)s1)N1CCNCC1
InChIInChI=1S/C25H26FN3O3S.C20H18FN3OS.C18H14FNO2S.C16H10FNO2S.C15H10FNS/c1-25(2,3)32-24(31)29-14-12-28(13-15-29)23(30)21-16-20(17-8-10-27-11-9-17)22(33-21)18-4-6-19(26)7-5-18;21-16-3-1-15(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;1-2-22-18(21)16-11-15(12-7-9-20-10-8-12)17(23-16)13-3-5-14(19)6-4-13;17-12-3-1-11(2-4-12)15-13(9-14(21-15)16(19)20)10-5-7-18-8-6-10;16-13-3-1-12(2-4-13)15-14(7-10-18-15)11-5-8-17-9-6-11/h4-11,16H,12-15H2,1-3H3;1-8,13,23H,9-12H2;3-11H,2H2,1H3;1-9H,(H,19,20);1-10H
InChIKeyVXLPZYCXJGOTDC-UHFFFAOYSA-N
XLogP22.69
TPSA210.24 Ų
H-Bond Donors2
H-Bond Acceptors18
Rotatable Bonds15
Heavy Atoms121
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001717.04
LogP ≤ 522.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1018

Analyze tert-butyl 4-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophene-2-carbonyl]piperazine-1-carboxylate;ethyl 5-(4-fluorophenyl)-4-pyridin-4-ylthiophene-2-carboxylate;5-(4-fluorophenyl)-4-pyridin-4-ylthiophene-2-carboxylic acid;[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-piperazin-1-ylmethanone;4-[2-(4-fluorophenyl)thiophen-3-yl]pyridine with MolForge

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Related Compounds

(2R)-2-amino-3-[[7-(difluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid;benzyl (2R)-3-[[7-(difluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]-2-(phenylmethoxycarbonylamino)propanoate;7-(difluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid;methyl 7-(difluoromethyl)thieno[3,2-b]pyridine-2-carboxylate;methyl 7-ethenylthieno[3,2-b]pyridine-2-carboxylate;methyl 7-formylthieno[3,2-b]pyridine-2-carboxylate
CID 158185921
4-amino-N-[3-(diethylamino)propyl]-3-[4-[3-(3-fluorophenyl)-2-oxopropyl]phenyl]thieno[3,2-c]pyridine-7-carboxamide;4-amino-3-[4-[3-(3-fluorophenyl)-2-oxopropyl]phenyl]thieno[3,2-c]pyridine-7-carboxylic acid;1-[4-(4-amino-7-iodothieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-fluorophenyl)propan-2-one;1-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-fluorophenyl)propan-2-one;methyl 4-amino-3-[4-[3-(3-fluorophenyl)-2-oxopropyl]phenyl]thieno[3,2-c]pyridine-7-carboxylate
CID 158488121
3-[1-acetyl-5-(4-methylcyclohexyl)-3,6-dihydro-2H-pyridin-4-yl]-5-phenylthiophene-2-carboxylic acid;3-[1-benzyl-5-(4-methylcyclohexyl)-3,6-dihydro-2H-pyridin-4-yl]-5-phenylthiophene-2-carboxylic acid;methane;methyl 3-[1-benzyl-5-(4-methylcyclohexyl)-3,6-dihydro-2H-pyridin-4-yl]-5-phenylthiophene-2-carboxylate;3-[5-(4-methylcyclohexyl)-1-(2-phenylethyl)-3,6-dihydro-2H-pyridin-4-yl]-5-phenylthiophene-2-carboxylic acid;3-[5-(4-methylcyclohexyl)-1-(pyridin-3-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-5-phenylthiophene-2-carboxylic acid;1-[3-[5-(4-methylcyclohexyl)-1,2,3,6-tetrahydropyridin-4-yl]-5-phenylthiophen-2-yl]ethanone
CID 160058220
4-[(4-carboxyphenyl)-methoxymethyl]benzoic acid;4-[[4-(dimethylcarbamoyl)phenyl]-methoxymethyl]-N,N-dimethylbenzamide;1-fluoro-4-[(4-fluorophenyl)-methoxymethyl]benzene;4-[(4-fluorophenyl)-methoxymethyl]benzoic acid;4-[(4-fluorophenyl)-methoxymethyl]-N,N-dimethylbenzamide;3-[methoxy(phenyl)methyl]pyridine;3-[methoxy(pyridin-3-yl)methyl]pyridine;2-[methoxy(thiophen-3-yl)methyl]thiophene;N-methyl-1-phenylmethanamine;[(E)-prop-1-enyl]benzene;propylbenzene
CID 160281749
N-[(1S)-2-amino-1-(4-ethylphenyl)ethyl]isoquinoline-6-carboxamide;[4-[(1S)-2-amino-1-(isoquinoline-6-carbonylamino)ethyl]phenyl]methyl 2,4-dimethylbenzoate;N-[(1S)-2-amino-1-(3-methylphenyl)ethyl]isoquinoline-6-carboxamide;N-[3-amino-1-(3-methylphenyl)propyl]isoquinoline-6-carboxamide;N-[(1S)-2-amino-1-phenylethyl]isoquinoline-6-carboxamide;N-[(1S)-2-(dimethylamino)-1-phenylethyl]isoquinoline-6-carboxamide;N-[(1R)-3-(dimethylamino)-1-phenylpropyl]isoquinoline-6-carboxamide;ethyl 4-[3-[3-amino-1-(isoquinoline-6-carbonylamino)propyl]phenyl]thiophene-2-carboxylate;methane
CID 161738826
N-(2-amino-5-thiophen-2-ylphenyl)-4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]benzamide;tert-butyl N-(2-amino-4-thiophen-2-ylphenyl)carbamate;tert-butyl 4-fluorobenzoate;tert-butyl 4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]benzoate;tert-butyl N-[2-[[4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]benzoyl]amino]-4-thiophen-2-ylphenyl]carbamate;4-(piperidin-4-ylmethyl)pyridine;4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]benzoic acid
CID 161992271
4-[5-But-1-ynyl-2-(4-fluorophenyl)thiophen-3-yl]pyridine;3-[5-(4-fluorophenyl)-2-pent-1-ynyl-4-pyridin-4-ylthiophen-3-yl]benzoic acid;[3-[5-(4-fluorophenyl)-2-pent-1-ynyl-4-pyridin-4-ylthiophen-3-yl]phenyl]methanol;[4-[5-(4-fluorophenyl)-2-pent-1-ynyl-4-pyridin-4-ylthiophen-3-yl]phenyl]methanol;methyl 2-[5-(4-fluorophenyl)-2-pent-1-ynyl-4-pyridin-4-ylthiophen-3-yl]benzoate;methyl 3-[5-(4-fluorophenyl)-2-pent-1-ynyl-4-pyridin-4-ylthiophen-3-yl]benzoate
CID 164051819

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophene-2-carbonyl]piperazine-1-carboxylate;ethyl 5-(4-fluorophenyl)-4-pyridin-4-ylthiophene-2-carboxylate;5-(4-fluorophenyl)-4-pyridin-4-ylthiophene-2-carboxylic acid;[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-piperazin-1-ylmethanone;4-[2-(4-fluorophenyl)thiophen-3-yl]pyridine?
The IUPAC name of tert-butyl 4-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophene-2-carbonyl]piperazine-1-carboxylate;ethyl 5-(4-fluorophenyl)-4-pyridin-4-ylthiophene-2-carboxylate;5-(4-fluorophenyl)-4-pyridin-4-ylthiophene-2-carboxylic acid;[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-piperazin-1-ylmethanone;4-[2-(4-fluorophenyl)thiophen-3-yl]pyridine (CID 161426781) is tert-butyl 4-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophene-2-carbonyl]piperazine-1-carboxylate;ethyl 5-(4-fluorophenyl)-4-pyridin-4-ylthiophene-2-carboxylate;5-(4-fluorophenyl)-4-pyridin-4-ylthiophene-2-carboxylic acid;[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-piperazin-1-ylmethanone;4-[2-(4-fluorophenyl)thiophen-3-yl]pyridine.
What is the SMILES notation for tert-butyl 4-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophene-2-carbonyl]piperazine-1-carboxylate;ethyl 5-(4-fluorophenyl)-4-pyridin-4-ylthiophene-2-carboxylate;5-(4-fluorophenyl)-4-pyridin-4-ylthiophene-2-carboxylic acid;[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-piperazin-1-ylmethanone;4-[2-(4-fluorophenyl)thiophen-3-yl]pyridine?
The canonical SMILES for tert-butyl 4-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophene-2-carbonyl]piperazine-1-carboxylate;ethyl 5-(4-fluorophenyl)-4-pyridin-4-ylthiophene-2-carboxylate;5-(4-fluorophenyl)-4-pyridin-4-ylthiophene-2-carboxylic acid;[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-piperazin-1-ylmethanone;4-[2-(4-fluorophenyl)thiophen-3-yl]pyridine is CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3ccncc3)c(-c3ccc(F)cc3)s2)CC1.CCOC(=O)c1cc(-c2ccncc2)c(-c2ccc(F)cc2)s1.Fc1ccc(-c2sccc2-c2ccncc2)cc1.O=C(O)c1cc(-c2ccncc2)c(-c2ccc(F)cc2)s1.O=C(c1cc(-c2ccncc2)c(-c2ccc(F)cc2)s1)N1CCNCC1.
What is the InChIKey of tert-butyl 4-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophene-2-carbonyl]piperazine-1-carboxylate;ethyl 5-(4-fluorophenyl)-4-pyridin-4-ylthiophene-2-carboxylate;5-(4-fluorophenyl)-4-pyridin-4-ylthiophene-2-carboxylic acid;[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-piperazin-1-ylmethanone;4-[2-(4-fluorophenyl)thiophen-3-yl]pyridine?
The InChIKey is VXLPZYCXJGOTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O3S.C20H18FN3OS.C18H14FNO2S.C16H10FNO2S.C15H10FNS/c1-25(2,3)32-24(31)29-14-12-28(13-15-29)23(30)21-16-20(17-8-10-27-11-9-17)22(33-21)18-4-6-19(26)7-5-18;21-16-3-1-15(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;1-2-22-18(21)16-11-15(12-7-9-20-10-8-12)17(23-16)13-3-5-14(19)6-4-13;17-12-3-1-11(2-4-12)15-13(9-14(21-15)16(19)20)10-5-7-18-8-6-10;16-13-3-1-12(2-4-13)15-14(7-10-18-15)11-5-8-17-9-6-11/h4-11,16H,12-15H2,1-3H3;1-8,13,23H,9-12H2;3-11H,2H2,1H3;1-9H,(H,19,20);1-10H.
What are the key properties of tert-butyl 4-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophene-2-carbonyl]piperazine-1-carboxylate;ethyl 5-(4-fluorophenyl)-4-pyridin-4-ylthiophene-2-carboxylate;5-(4-fluorophenyl)-4-pyridin-4-ylthiophene-2-carboxylic acid;[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-piperazin-1-ylmethanone;4-[2-(4-fluorophenyl)thiophen-3-yl]pyridine?
tert-butyl 4-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophene-2-carbonyl]piperazine-1-carboxylate;ethyl 5-(4-fluorophenyl)-4-pyridin-4-ylthiophene-2-carboxylate;5-(4-fluorophenyl)-4-pyridin-4-ylthiophene-2-carboxylic acid;[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-piperazin-1-ylmethanone;4-[2-(4-fluorophenyl)thiophen-3-yl]pyridine has a molecular weight of 1717.04 g/mol, XLogP of 22.69, 15 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophene-2-carbonyl]piperazine-1-carboxylate;ethyl 5-(4-fluorophenyl)-4-pyridin-4-ylthiophene-2-carboxylate;5-(4-fluorophenyl)-4-pyridin-4-ylthiophene-2-carboxylic acid;[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-piperazin-1-ylmethanone;4-[2-(4-fluorophenyl)thiophen-3-yl]pyridine is sourced from PubChem (CID 161426781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).