N-[4-[4-[amino-(4-chlorophenyl)methyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]-2-pyridinyl]acetamide;(4-chloro-2-fluoro-5-methoxyphenyl)-[2-(1H-imidazol-2-yl)-5-pyridin-4-ylthiophen-3-yl]methanol;(2-chloro-4-fluorophenyl)-[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]methanol;(3-chloro-4-methoxyphenyl)-[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]methanol;(2-fluoro-5-methylphenyl)-[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]methanol

C100H78Cl4F3N17O7S5 — CID 159830811

IUPACN-[4-[4-[amino-(4-chlorophenyl)methyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]-2-pyridinyl]acetamide;(4-chloro-2-fluoro-5-methoxyphenyl)-[2-(1H-imidazol-2-yl)-5-pyridin-4-ylthiophen-3-yl]methanol;(2-chloro-4-fluorophenyl)-[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]methanol;(3-chloro-4-methoxyphenyl)-[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]methanol;(2-fluoro-5-methylphenyl)-[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]methanol
SMILESCC(=O)Nc1cc(-c2cc(C(N)c3ccc(Cl)cc3)c(-c3ncc[nH]3)s2)ccn1.COc1cc(C(O)c2cc(-c3ccncc3)sc2-c2ncc[nH]2)c(F)cc1Cl.COc1ccc(C(O)c2cc(-c3ccncc3)sc2C2=NN=CC2)cc1Cl.Cc1ccc(F)c(C(O)c2cc(-c3ccncc3)sc2C2=NN=CC2)c1.OC(c1ccc(F)cc1Cl)c1cc(-c2ccncc2)sc1C1=NN=CC1
InChIInChI=1S/C21H18ClN5OS.C20H15ClFN3O2S.C20H16ClN3O2S.C20H16FN3OS.C19H13ClFN3OS/c1-12(28)27-18-10-14(6-7-24-18)17-11-16(20(29-17)21-25-8-9-26-21)19(23)13-2-4-15(22)5-3-13;1-27-16-8-12(15(22)10-14(16)21)18(26)13-9-17(11-2-4-23-5-3-11)28-19(13)20-24-6-7-25-20;1-26-17-3-2-13(10-15(17)21)19(25)14-11-18(12-4-7-22-8-5-12)27-20(14)16-6-9-23-24-16;1-12-2-3-16(21)14(10-12)19(25)15-11-18(13-4-7-22-8-5-13)26-20(15)17-6-9-23-24-17;20-15-9-12(21)1-2-13(15)18(25)14-10-17(11-3-6-22-7-4-11)26-19(14)16-5-8-23-24-16/h2-11,19H,23H2,1H3,(H,25,26)(H,24,27,28);2-10,18,26H,1H3,(H,24,25);2-5,7-11,19,25H,6H2,1H3;2-5,7-11,19,25H,6H2,1H3;1-4,6-10,18,25H,5H2
InChIKeyNNLBQFPOFRLTQI-UHFFFAOYSA-N
MW1988.98 g/mol
LogP24.06
Rot. Bonds23

About N-[4-[4-[amino-(4-chlorophenyl)methyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]-2-pyridinyl]acetamide;(4-chloro-2-fluoro-5-methoxyphenyl)-[2-(1H-imidazol-2-yl)-5-pyridin-4-ylthiophen-3-yl]methanol;(2-chloro-4-fluorophenyl)-[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]methanol;(3-chloro-4-methoxyphenyl)-[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]methanol;(2-fluoro-5-methylphenyl)-[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]methanol

N-[4-[4-[amino-(4-chlorophenyl)methyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]-2-pyridinyl]acetamide;(4-chloro-2-fluoro-5-methoxyphenyl)-[2-(1H-imidazol-2-yl)-5-pyridin-4-ylthiophen-3-yl]methanol;(2-chloro-4-fluorophenyl)-[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]methanol;(3-chloro-4-methoxyphenyl)-[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]methanol;(2-fluoro-5-methylphenyl)-[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]methanol (PubChem CID 159830811) has the molecular formula C100H78Cl4F3N17O7S5 and a molecular weight of 1988.98 g/mol. Its IUPAC name is N-[4-[4-[amino-(4-chlorophenyl)methyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]-2-pyridinyl]acetamide;(4-chloro-2-fluoro-5-methoxyphenyl)-[2-(1H-imidazol-2-yl)-5-pyridin-4-ylthiophen-3-yl]methanol;(2-chloro-4-fluorophenyl)-[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]methanol;(3-chloro-4-methoxyphenyl)-[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]methanol;(2-fluoro-5-methylphenyl)-[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]methanol.

Molecular Properties

Compound NameN-[4-[4-[amino-(4-chlorophenyl)methyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]-2-pyridinyl]acetamide;(4-chloro-2-fluoro-5-methoxyphenyl)-[2-(1H-imidazol-2-yl)-5-pyridin-4-ylthiophen-3-yl]methanol;(2-chloro-4-fluorophenyl)-[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]methanol;(3-chloro-4-methoxyphenyl)-[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]methanol;(2-fluoro-5-methylphenyl)-[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]methanol
PubChem CID159830811
Molecular FormulaC100H78Cl4F3N17O7S5
Molecular Weight1988.98 g/mol
Exact Mass1985.36
IUPAC NameN-[4-[4-[amino-(4-chlorophenyl)methyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]-2-pyridinyl]acetamide;(4-chloro-2-fluoro-5-methoxyphenyl)-[2-(1H-imidazol-2-yl)-5-pyridin-4-ylthiophen-3-yl]methanol;(2-chloro-4-fluorophenyl)-[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]methanol;(3-chloro-4-methoxyphenyl)-[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]methanol;(2-fluoro-5-methylphenyl)-[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]methanol
SMILESCC(=O)Nc1cc(-c2cc(C(N)c3ccc(Cl)cc3)c(-c3ncc[nH]3)s2)ccn1.COc1cc(C(O)c2cc(-c3ccncc3)sc2-c2ncc[nH]2)c(F)cc1Cl.COc1ccc(C(O)c2cc(-c3ccncc3)sc2C2=NN=CC2)cc1Cl.Cc1ccc(F)c(C(O)c2cc(-c3ccncc3)sc2C2=NN=CC2)c1.OC(c1ccc(F)cc1Cl)c1cc(-c2ccncc2)sc1C1=NN=CC1
InChIInChI=1S/C21H18ClN5OS.C20H15ClFN3O2S.C20H16ClN3O2S.C20H16FN3OS.C19H13ClFN3OS/c1-12(28)27-18-10-14(6-7-24-18)17-11-16(20(29-17)21-25-8-9-26-21)19(23)13-2-4-15(22)5-3-13;1-27-16-8-12(15(22)10-14(16)21)18(26)13-9-17(11-2-4-23-5-3-11)28-19(13)20-24-6-7-25-20;1-26-17-3-2-13(10-15(17)21)19(25)14-11-18(12-4-7-22-8-5-12)27-20(14)16-6-9-23-24-16;1-12-2-3-16(21)14(10-12)19(25)15-11-18(13-4-7-22-8-5-13)26-20(15)17-6-9-23-24-17;20-15-9-12(21)1-2-13(15)18(25)14-10-17(11-3-6-22-7-4-11)26-19(14)16-5-8-23-24-16/h2-11,19H,23H2,1H3,(H,25,26)(H,24,27,28);2-10,18,26H,1H3,(H,24,25);2-5,7-11,19,25H,6H2,1H3;2-5,7-11,19,25H,6H2,1H3;1-4,6-10,18,25H,5H2
InChIKeyNNLBQFPOFRLTQI-UHFFFAOYSA-N
XLogP24.06
TPSA350.47 Ų
H-Bond Donors8
H-Bond Acceptors26
Rotatable Bonds23
Heavy Atoms136
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001988.98
LogP ≤ 524.06
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1026

Analyze N-[4-[4-[amino-(4-chlorophenyl)methyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]-2-pyridinyl]acetamide;(4-chloro-2-fluoro-5-methoxyphenyl)-[2-(1H-imidazol-2-yl)-5-pyridin-4-ylthiophen-3-yl]methanol;(2-chloro-4-fluorophenyl)-[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]methanol;(3-chloro-4-methoxyphenyl)-[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]methanol;(2-fluoro-5-methylphenyl)-[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]methanol with MolForge

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Launch Full Analysis

Related Compounds

1-(4-chlorophenyl)-1-[2-(1H-imidazol-2-yl)-5-(2-methyl-4-pyridinyl)thiophen-3-yl]-N,N-dimethylmethanamine;N-[4-[4-[(4-chlorophenyl)-[methyl-(1-methylazetidin-3-yl)amino]methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;(4-methoxy-2-methylphenyl)-[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]methanol;(3-methylphenyl)-[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]methanol
CID 157483872
(4-chloro-2-fluoro-5-methoxyphenyl)-[2-(1H-imidazol-2-yl)-5-(2-methyl-4-pyridinyl)thiophen-3-yl]methanol;N-[4-[4-[(4-chlorophenyl)-[(3S)-3-ethylpyrrolidin-1-yl]methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;N-[4-[4-[(4-chlorophenyl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;1-[4-[4-[(4-chlorophenyl)-(4-methylpiperazin-1-yl)methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]propan-2-one;(2,5-difluorophenyl)-[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]methanol
CID 157663970
(4-chloro-2-fluoro-5-methoxyphenyl)-[2-(1H-imidazol-2-yl)-5-pyridazin-4-ylthiophen-3-yl]methanol;(4-chloro-2-fluoro-5-methoxyphenyl)-[2-(1H-imidazol-2-yl)-5-pyridin-4-ylthiophen-3-yl]methanol;N-[4-[4-[(4-chlorophenyl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]-2-pyridinyl]acetamide;(2-fluoronaphthalen-1-yl)-[2-(1H-imidazol-2-yl)-5-pyridin-4-ylthiophen-3-yl]methanol;[2-(1H-imidazol-2-yl)-5-pyridin-4-ylthiophen-3-yl]-naphthalen-2-ylmethanol
CID 157823134
bis(N-[4-[4-[[azetidin-3-yl(methyl)amino]-(4-chlorophenyl)methyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]-2-pyridinyl]acetamide);(4-chloro-2-fluoro-5-methoxyphenyl)-[5-(2-chloro-4-pyridinyl)-2-(1H-imidazol-2-yl)thiophen-3-yl]methanol;(2-chloro-6-fluorophenyl)-[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]methanol;[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]-(2-pyridin-3-ylphenyl)methanol
CID 159973422
[5-(2-aminopyrimidin-4-yl)-2-(1H-imidazol-2-yl)thiophen-3-yl]-(4-chlorophenyl)methanol;(4-chlorophenyl)-[5-(3-chloro-4-pyridinyl)-2-(1H-imidazol-2-yl)thiophen-3-yl]methanol;(4-chlorophenyl)-[5-(2-fluoro-4-pyridinyl)-2-(1H-imidazol-2-yl)thiophen-3-yl]methanol;(4-chlorophenyl)-[5-(3-fluoro-4-pyridinyl)-2-(1H-imidazol-2-yl)thiophen-3-yl]methanol;(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-(2-methoxy-4-pyridinyl)thiophen-3-yl]methanol
CID 161914179

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[amino-(4-chlorophenyl)methyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]-2-pyridinyl]acetamide;(4-chloro-2-fluoro-5-methoxyphenyl)-[2-(1H-imidazol-2-yl)-5-pyridin-4-ylthiophen-3-yl]methanol;(2-chloro-4-fluorophenyl)-[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]methanol;(3-chloro-4-methoxyphenyl)-[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]methanol;(2-fluoro-5-methylphenyl)-[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]methanol?
The IUPAC name of N-[4-[4-[amino-(4-chlorophenyl)methyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]-2-pyridinyl]acetamide;(4-chloro-2-fluoro-5-methoxyphenyl)-[2-(1H-imidazol-2-yl)-5-pyridin-4-ylthiophen-3-yl]methanol;(2-chloro-4-fluorophenyl)-[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]methanol;(3-chloro-4-methoxyphenyl)-[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]methanol;(2-fluoro-5-methylphenyl)-[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]methanol (CID 159830811) is N-[4-[4-[amino-(4-chlorophenyl)methyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]-2-pyridinyl]acetamide;(4-chloro-2-fluoro-5-methoxyphenyl)-[2-(1H-imidazol-2-yl)-5-pyridin-4-ylthiophen-3-yl]methanol;(2-chloro-4-fluorophenyl)-[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]methanol;(3-chloro-4-methoxyphenyl)-[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]methanol;(2-fluoro-5-methylphenyl)-[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]methanol.
What is the SMILES notation for N-[4-[4-[amino-(4-chlorophenyl)methyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]-2-pyridinyl]acetamide;(4-chloro-2-fluoro-5-methoxyphenyl)-[2-(1H-imidazol-2-yl)-5-pyridin-4-ylthiophen-3-yl]methanol;(2-chloro-4-fluorophenyl)-[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]methanol;(3-chloro-4-methoxyphenyl)-[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]methanol;(2-fluoro-5-methylphenyl)-[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]methanol?
The canonical SMILES for N-[4-[4-[amino-(4-chlorophenyl)methyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]-2-pyridinyl]acetamide;(4-chloro-2-fluoro-5-methoxyphenyl)-[2-(1H-imidazol-2-yl)-5-pyridin-4-ylthiophen-3-yl]methanol;(2-chloro-4-fluorophenyl)-[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]methanol;(3-chloro-4-methoxyphenyl)-[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]methanol;(2-fluoro-5-methylphenyl)-[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]methanol is CC(=O)Nc1cc(-c2cc(C(N)c3ccc(Cl)cc3)c(-c3ncc[nH]3)s2)ccn1.COc1cc(C(O)c2cc(-c3ccncc3)sc2-c2ncc[nH]2)c(F)cc1Cl.COc1ccc(C(O)c2cc(-c3ccncc3)sc2C2=NN=CC2)cc1Cl.Cc1ccc(F)c(C(O)c2cc(-c3ccncc3)sc2C2=NN=CC2)c1.OC(c1ccc(F)cc1Cl)c1cc(-c2ccncc2)sc1C1=NN=CC1.
What is the InChIKey of N-[4-[4-[amino-(4-chlorophenyl)methyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]-2-pyridinyl]acetamide;(4-chloro-2-fluoro-5-methoxyphenyl)-[2-(1H-imidazol-2-yl)-5-pyridin-4-ylthiophen-3-yl]methanol;(2-chloro-4-fluorophenyl)-[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]methanol;(3-chloro-4-methoxyphenyl)-[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]methanol;(2-fluoro-5-methylphenyl)-[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]methanol?
The InChIKey is NNLBQFPOFRLTQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN5OS.C20H15ClFN3O2S.C20H16ClN3O2S.C20H16FN3OS.C19H13ClFN3OS/c1-12(28)27-18-10-14(6-7-24-18)17-11-16(20(29-17)21-25-8-9-26-21)19(23)13-2-4-15(22)5-3-13;1-27-16-8-12(15(22)10-14(16)21)18(26)13-9-17(11-2-4-23-5-3-11)28-19(13)20-24-6-7-25-20;1-26-17-3-2-13(10-15(17)21)19(25)14-11-18(12-4-7-22-8-5-12)27-20(14)16-6-9-23-24-16;1-12-2-3-16(21)14(10-12)19(25)15-11-18(13-4-7-22-8-5-13)26-20(15)17-6-9-23-24-17;20-15-9-12(21)1-2-13(15)18(25)14-10-17(11-3-6-22-7-4-11)26-19(14)16-5-8-23-24-16/h2-11,19H,23H2,1H3,(H,25,26)(H,24,27,28);2-10,18,26H,1H3,(H,24,25);2-5,7-11,19,25H,6H2,1H3;2-5,7-11,19,25H,6H2,1H3;1-4,6-10,18,25H,5H2.
What are the key properties of N-[4-[4-[amino-(4-chlorophenyl)methyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]-2-pyridinyl]acetamide;(4-chloro-2-fluoro-5-methoxyphenyl)-[2-(1H-imidazol-2-yl)-5-pyridin-4-ylthiophen-3-yl]methanol;(2-chloro-4-fluorophenyl)-[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]methanol;(3-chloro-4-methoxyphenyl)-[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]methanol;(2-fluoro-5-methylphenyl)-[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]methanol?
N-[4-[4-[amino-(4-chlorophenyl)methyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]-2-pyridinyl]acetamide;(4-chloro-2-fluoro-5-methoxyphenyl)-[2-(1H-imidazol-2-yl)-5-pyridin-4-ylthiophen-3-yl]methanol;(2-chloro-4-fluorophenyl)-[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]methanol;(3-chloro-4-methoxyphenyl)-[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]methanol;(2-fluoro-5-methylphenyl)-[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]methanol has a molecular weight of 1988.98 g/mol, XLogP of 24.06, 23 rotatable bonds, 8 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[amino-(4-chlorophenyl)methyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]-2-pyridinyl]acetamide;(4-chloro-2-fluoro-5-methoxyphenyl)-[2-(1H-imidazol-2-yl)-5-pyridin-4-ylthiophen-3-yl]methanol;(2-chloro-4-fluorophenyl)-[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]methanol;(3-chloro-4-methoxyphenyl)-[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]methanol;(2-fluoro-5-methylphenyl)-[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]methanol is sourced from PubChem (CID 159830811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).