2-[5-(2,5-dimethylthiophen-3-yl)-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-(4-isocyanophenyl)pyrazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-pyridin-3-ylpyrazol-3-yl]pyridine;4-[1-[(2-fluorophenyl)methyl]-3-pyridin-2-ylpyrazol-5-yl]pyrimidine

C82H62F4N16S — CID 158598426

IUPAC2-[5-(2,5-dimethylthiophen-3-yl)-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-(4-isocyanophenyl)pyrazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-pyridin-3-ylpyrazol-3-yl]pyridine;4-[1-[(2-fluorophenyl)methyl]-3-pyridin-2-ylpyrazol-5-yl]pyrimidine
SMILESCc1cc(-c2cc(-c3ccccn3)nn2Cc2ccccc2F)c(C)s1.Fc1ccccc1Cn1nc(-c2ccccn2)cc1-c1cccnc1.Fc1ccccc1Cn1nc(-c2ccccn2)cc1-c1ccncn1.[C-]#[N+]c1ccc(-c2cc(-c3ccccn3)nn2Cc2ccccc2F)cc1
InChIInChI=1S/C22H15FN4.C21H18FN3S.C20H15FN4.C19H14FN5/c1-24-18-11-9-16(10-12-18)22-14-21(20-8-4-5-13-25-20)26-27(22)15-17-6-2-3-7-19(17)23;1-14-11-17(15(2)26-14)21-12-20(19-9-5-6-10-23-19)24-25(21)13-16-7-3-4-8-18(16)22;21-17-8-2-1-6-16(17)14-25-20(15-7-5-10-22-13-15)12-19(24-25)18-9-3-4-11-23-18;20-15-6-2-1-5-14(15)12-25-19(17-8-10-21-13-23-17)11-18(24-25)16-7-3-4-9-22-16/h2-14H,15H2;3-12H,13H2,1-2H3;1-13H,14H2;1-11,13H,12H2
InChIKeyHVHYRIWWQZHRMX-UHFFFAOYSA-N
MW1379.57 g/mol
LogP18.61
Rot. Bonds16

About 2-[5-(2,5-dimethylthiophen-3-yl)-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-(4-isocyanophenyl)pyrazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-pyridin-3-ylpyrazol-3-yl]pyridine;4-[1-[(2-fluorophenyl)methyl]-3-pyridin-2-ylpyrazol-5-yl]pyrimidine

2-[5-(2,5-dimethylthiophen-3-yl)-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-(4-isocyanophenyl)pyrazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-pyridin-3-ylpyrazol-3-yl]pyridine;4-[1-[(2-fluorophenyl)methyl]-3-pyridin-2-ylpyrazol-5-yl]pyrimidine (PubChem CID 158598426) has the molecular formula C82H62F4N16S and a molecular weight of 1379.57 g/mol. Its IUPAC name is 2-[5-(2,5-dimethylthiophen-3-yl)-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-(4-isocyanophenyl)pyrazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-pyridin-3-ylpyrazol-3-yl]pyridine;4-[1-[(2-fluorophenyl)methyl]-3-pyridin-2-ylpyrazol-5-yl]pyrimidine.

Molecular Properties

Compound Name2-[5-(2,5-dimethylthiophen-3-yl)-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-(4-isocyanophenyl)pyrazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-pyridin-3-ylpyrazol-3-yl]pyridine;4-[1-[(2-fluorophenyl)methyl]-3-pyridin-2-ylpyrazol-5-yl]pyrimidine
PubChem CID158598426
Molecular FormulaC82H62F4N16S
Molecular Weight1379.57 g/mol
Exact Mass1378.50
IUPAC Name2-[5-(2,5-dimethylthiophen-3-yl)-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-(4-isocyanophenyl)pyrazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-pyridin-3-ylpyrazol-3-yl]pyridine;4-[1-[(2-fluorophenyl)methyl]-3-pyridin-2-ylpyrazol-5-yl]pyrimidine
SMILESCc1cc(-c2cc(-c3ccccn3)nn2Cc2ccccc2F)c(C)s1.Fc1ccccc1Cn1nc(-c2ccccn2)cc1-c1cccnc1.Fc1ccccc1Cn1nc(-c2ccccn2)cc1-c1ccncn1.[C-]#[N+]c1ccc(-c2cc(-c3ccccn3)nn2Cc2ccccc2F)cc1
InChIInChI=1S/C22H15FN4.C21H18FN3S.C20H15FN4.C19H14FN5/c1-24-18-11-9-16(10-12-18)22-14-21(20-8-4-5-13-25-20)26-27(22)15-17-6-2-3-7-19(17)23;1-14-11-17(15(2)26-14)21-12-20(19-9-5-6-10-23-19)24-25(21)13-16-7-3-4-8-18(16)22;21-17-8-2-1-6-16(17)14-25-20(15-7-5-10-22-13-15)12-19(24-25)18-9-3-4-11-23-18;20-15-6-2-1-5-14(15)12-25-19(17-8-10-21-13-23-17)11-18(24-25)16-7-3-4-9-22-16/h2-14H,15H2;3-12H,13H2,1-2H3;1-13H,14H2;1-11,13H,12H2
InChIKeyHVHYRIWWQZHRMX-UHFFFAOYSA-N
XLogP18.61
TPSA165.87 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds16
Heavy Atoms103
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001379.57
LogP ≤ 518.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 2-[5-(2,5-dimethylthiophen-3-yl)-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-(4-isocyanophenyl)pyrazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-pyridin-3-ylpyrazol-3-yl]pyridine;4-[1-[(2-fluorophenyl)methyl]-3-pyridin-2-ylpyrazol-5-yl]pyrimidine with MolForge

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Related Compounds

(Z)-3-[4-[2-[4-[4-[(Z)-2-cyanoethenyl]phenyl]-6-pyrimidin-2-yl-2-pyridinyl]-4-pyridinyl]phenyl]prop-2-enenitrile;4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+);isothiocyanate
CID 140687490
N-(1-benzothiophen-5-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,5-difluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2,5-dimethyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,5-dimethylphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-ethyl-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(4-fluorophenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(4-methylphenyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 157325130
2-(3-methyl-5H-pyrazol-5-id-1-yl)-3-(3-methylpyrazol-1-yl)-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-5-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propan-2-yl]pyridine;6-(3-methyl-5H-pyrazol-5-id-1-yl)-N-phenyl-5-pyridin-4-yl-N-[5-pyridin-4-yl-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]pyridin-2-amine;6-(3-methyl-5H-pyrazol-5-id-1-yl)-N-phenyl-5-(3H-pyrrol-2-yl)-N-[5-(3H-pyrrol-2-yl)-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]pyridin-2-amine;N-phenyl-5-pyrazin-2-yl-N-[5-pyrazin-2-yl-6-(3H-pyrazol-3-id-2-yl)-2-pyridinyl]-6-(3H-pyrazol-3-id-2-yl)pyridin-2-amine;pentakis(platinum(2+));2-(3H-pyrazol-3-id-2-yl)-6-[2-[6-(3H-pyrazol-3-id-2-yl)-5-thiophen-2-yl-2-pyridinyl]propan-2-yl]-3-thiophen-2-ylpyridine
CID 158856910
2-(3H-furan-3-id-2-yl)pyrimidine;4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;5-(5-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-(5-methyl-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl)pyridine;2-[5-(2,3,4,5-tetrafluorophenyl)pyrazol-1-id-3-yl]pyridine;2-(3H-thiophen-3-id-2-yl)pyrimidine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-1,3,5-triazine
CID 159442323
N-(1-benzothiophen-5-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,5-difluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,5-dimethylphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(4-fluorophenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;7-methyl-N-(4-methylphenyl)imidazo[1,2-a]pyrimidin-5-amine;5-methyl-N-(4-methylphenyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 160204100
6-[difluoro-[6-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[difluoro-(6-pyridin-3-yl-8aH-[1,2,4]triazolo[4,3-b]pyridazin-4-ium-3-yl)methyl]quinoline;6-[difluoro-(6-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;3-[3-[difluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]quinoline;6-[difluoro-(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[[6-(2-ethynyl-4-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-difluoromethyl]quinoline;6-[[6-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;3-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]quinoline
CID 160632497
5-[1-(2-methylpropyl)pyrazol-4-yl]-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-5-[1-(thiophen-2-ylmethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-5-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 161297990
ethane;4-fluoro-5-(4-methyl-3-pyridinyl)-3-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridine;(3E,5E)-5-[4-fluoro-3-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-(4-methylpent-1-en-2-yl)hepta-1,3,5-trien-3-amine
CID 145033638
N-[[5-[6-fluoro-3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine;2-(6-fluoro-5-pyrimidin-5-yl-1H-indazol-3-yl)-4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridine;2-methylpropane
CID 145034487
5-[7-fluoro-3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine;2-[7-fluoro-5-(4-methyl-3-pyridinyl)-2H-indazol-3-yl]-4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridine;2-methylpropane
CID 145034717
5-[(3Z)-3-[(5E)-5-ethylidene-3-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazol-4-ylidene]-3-fluoroprop-1-en-2-yl]pyridin-3-amine;N-[[5-[4-fluoro-3-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]propan-1-amine
CID 145037196
(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;1,3-dimethyl-2-(2-methylphenyl)imidazol-1-ium;1,3-dimethyl-2-[(2-methylphenyl)methyl]imidazol-1-ium;ethane;methane;1-methyl-2-[(2-methylphenyl)methyl]pyridin-1-ium;1-methyl-6-[(2-methylphenyl)methyl]pyrimidin-1-ium;1-methyl-2-(2-methylphenyl)pyrazin-1-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-6-(2-methylphenyl)pyrimidin-1-ium;3-methyl-2-(2-methylphenyl)-1,3-thiazol-3-ium;1-methyl-2-(2-methylphenyl)-1,3,5-triazin-1-ium;(2Z,4Z)-3,4,5-trimethylhepta-2,4-diene
CID 157171895

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,5-dimethylthiophen-3-yl)-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-(4-isocyanophenyl)pyrazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-pyridin-3-ylpyrazol-3-yl]pyridine;4-[1-[(2-fluorophenyl)methyl]-3-pyridin-2-ylpyrazol-5-yl]pyrimidine?
The IUPAC name of 2-[5-(2,5-dimethylthiophen-3-yl)-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-(4-isocyanophenyl)pyrazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-pyridin-3-ylpyrazol-3-yl]pyridine;4-[1-[(2-fluorophenyl)methyl]-3-pyridin-2-ylpyrazol-5-yl]pyrimidine (CID 158598426) is 2-[5-(2,5-dimethylthiophen-3-yl)-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-(4-isocyanophenyl)pyrazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-pyridin-3-ylpyrazol-3-yl]pyridine;4-[1-[(2-fluorophenyl)methyl]-3-pyridin-2-ylpyrazol-5-yl]pyrimidine.
What is the SMILES notation for 2-[5-(2,5-dimethylthiophen-3-yl)-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-(4-isocyanophenyl)pyrazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-pyridin-3-ylpyrazol-3-yl]pyridine;4-[1-[(2-fluorophenyl)methyl]-3-pyridin-2-ylpyrazol-5-yl]pyrimidine?
The canonical SMILES for 2-[5-(2,5-dimethylthiophen-3-yl)-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-(4-isocyanophenyl)pyrazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-pyridin-3-ylpyrazol-3-yl]pyridine;4-[1-[(2-fluorophenyl)methyl]-3-pyridin-2-ylpyrazol-5-yl]pyrimidine is Cc1cc(-c2cc(-c3ccccn3)nn2Cc2ccccc2F)c(C)s1.Fc1ccccc1Cn1nc(-c2ccccn2)cc1-c1cccnc1.Fc1ccccc1Cn1nc(-c2ccccn2)cc1-c1ccncn1.[C-]#[N+]c1ccc(-c2cc(-c3ccccn3)nn2Cc2ccccc2F)cc1.
What is the InChIKey of 2-[5-(2,5-dimethylthiophen-3-yl)-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-(4-isocyanophenyl)pyrazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-pyridin-3-ylpyrazol-3-yl]pyridine;4-[1-[(2-fluorophenyl)methyl]-3-pyridin-2-ylpyrazol-5-yl]pyrimidine?
The InChIKey is HVHYRIWWQZHRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15FN4.C21H18FN3S.C20H15FN4.C19H14FN5/c1-24-18-11-9-16(10-12-18)22-14-21(20-8-4-5-13-25-20)26-27(22)15-17-6-2-3-7-19(17)23;1-14-11-17(15(2)26-14)21-12-20(19-9-5-6-10-23-19)24-25(21)13-16-7-3-4-8-18(16)22;21-17-8-2-1-6-16(17)14-25-20(15-7-5-10-22-13-15)12-19(24-25)18-9-3-4-11-23-18;20-15-6-2-1-5-14(15)12-25-19(17-8-10-21-13-23-17)11-18(24-25)16-7-3-4-9-22-16/h2-14H,15H2;3-12H,13H2,1-2H3;1-13H,14H2;1-11,13H,12H2.
What are the key properties of 2-[5-(2,5-dimethylthiophen-3-yl)-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-(4-isocyanophenyl)pyrazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-pyridin-3-ylpyrazol-3-yl]pyridine;4-[1-[(2-fluorophenyl)methyl]-3-pyridin-2-ylpyrazol-5-yl]pyrimidine?
2-[5-(2,5-dimethylthiophen-3-yl)-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-(4-isocyanophenyl)pyrazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-pyridin-3-ylpyrazol-3-yl]pyridine;4-[1-[(2-fluorophenyl)methyl]-3-pyridin-2-ylpyrazol-5-yl]pyrimidine has a molecular weight of 1379.57 g/mol, XLogP of 18.61, 16 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,5-dimethylthiophen-3-yl)-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-(4-isocyanophenyl)pyrazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-pyridin-3-ylpyrazol-3-yl]pyridine;4-[1-[(2-fluorophenyl)methyl]-3-pyridin-2-ylpyrazol-5-yl]pyrimidine is sourced from PubChem (CID 158598426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).