2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]pyrimidine;2-[2-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]pyrimidine;2-[1-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole;2-[2-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole

C68H48F4N24S2 — CID 158570631

IUPAC2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]pyrimidine;2-[2-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]pyrimidine;2-[1-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole;2-[2-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole
SMILESFc1ccccc1Cn1nc(-c2ccccn2)nc1-c1ncccn1.Fc1ccccc1Cn1nc(-c2ncccn2)nc1-c1ccccn1.Fc1ccccc1Cn1nc(-c2ncccn2)nc1-c1nccs1.Fc1ccccc1Cn1nc(-c2nccs2)nc1-c1ncccn1
InChIInChI=1S/2C18H13FN6.2C16H11FN6S/c19-14-7-2-1-6-13(14)12-25-18(15-8-3-4-9-20-15)23-17(24-25)16-21-10-5-11-22-16;19-14-7-2-1-6-13(14)12-25-18(17-21-10-5-11-22-17)23-16(24-25)15-8-3-4-9-20-15;17-12-5-2-1-4-11(12)10-23-15(13-18-6-3-7-19-13)21-14(22-23)16-20-8-9-24-16;17-12-5-2-1-4-11(12)10-23-15(16-20-8-9-24-16)21-14(22-23)13-18-6-3-7-19-13/h2*1-11H,12H2;2*1-9H,10H2
InChIKeyHSAMRMDRZLLUPN-UHFFFAOYSA-N
MW1341.43 g/mol
LogP12.06
Rot. Bonds16

About 2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]pyrimidine;2-[2-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]pyrimidine;2-[1-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole;2-[2-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole

2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]pyrimidine;2-[2-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]pyrimidine;2-[1-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole;2-[2-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole (PubChem CID 158570631) has the molecular formula C68H48F4N24S2 and a molecular weight of 1341.43 g/mol. Its IUPAC name is 2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]pyrimidine;2-[2-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]pyrimidine;2-[1-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole;2-[2-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]pyrimidine;2-[2-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]pyrimidine;2-[1-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole;2-[2-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole
PubChem CID158570631
Molecular FormulaC68H48F4N24S2
Molecular Weight1341.43 g/mol
Exact Mass1340.39
IUPAC Name2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]pyrimidine;2-[2-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]pyrimidine;2-[1-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole;2-[2-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole
SMILESFc1ccccc1Cn1nc(-c2ccccn2)nc1-c1ncccn1.Fc1ccccc1Cn1nc(-c2ncccn2)nc1-c1ccccn1.Fc1ccccc1Cn1nc(-c2ncccn2)nc1-c1nccs1.Fc1ccccc1Cn1nc(-c2nccs2)nc1-c1ncccn1
InChIInChI=1S/2C18H13FN6.2C16H11FN6S/c19-14-7-2-1-6-13(14)12-25-18(15-8-3-4-9-20-15)23-17(24-25)16-21-10-5-11-22-16;19-14-7-2-1-6-13(14)12-25-18(17-21-10-5-11-22-17)23-16(24-25)15-8-3-4-9-20-15;17-12-5-2-1-4-11(12)10-23-15(13-18-6-3-7-19-13)21-14(22-23)16-20-8-9-24-16;17-12-5-2-1-4-11(12)10-23-15(16-20-8-9-24-16)21-14(22-23)13-18-6-3-7-19-13/h2*1-11H,12H2;2*1-9H,10H2
InChIKeyHSAMRMDRZLLUPN-UHFFFAOYSA-N
XLogP12.06
TPSA277.52 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds16
Heavy Atoms98
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001341.43
LogP ≤ 512.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

Analyze 2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]pyrimidine;2-[2-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]pyrimidine;2-[1-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole;2-[2-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole with MolForge

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Related Compounds

N-butyl-N-methyl-5-[(6-methyl-3-pyridin-2-ylpyrazolo[5,1-c][1,2,4]triazol-7-ylidene)methyl]thiophen-2-amine;N,N-diethyl-6-methyl-5-[[3-(1,3-thiazol-2-yl)-6-(trifluoromethyl)pyrazolo[5,1-c][1,2,4]triazol-7-ylidene]methyl]pyridin-2-amine
CID 53823075
2-[4-[2-[[3-[7-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-4-ethyl-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridin-5-yl]pyrazol-1-yl]methyl]-4-ethyl-5-(1-methylpyrazol-3-yl)-4H-[1,2,4]triazolo[4,3-f]pteridin-10-ium-7-yl]-1-methylpyrazol-3-yl]-1,3-thiazole
CID 123481644
N-[4-[(7S)-5-[difluoro-(2-fluorophenyl)methyl]-7-methyl-3,4,6,9-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-11-yl]-6-[6-[[4-[(7S)-5-[difluoro-(2-fluorophenyl)methyl]-7-methyl-3,4,6,9-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-11-yl]-5-methylpyrimidin-2-yl]amino]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-5-methylpyrimidin-2-yl]-1,3,4-thiadiazol-2-amine
CID 155376310
CID 157551886
CID 157551886
3,5-Difluoro-2-methylpyridine;2,5-dimethylpyridine;1-fluoro-4-methylbenzene;5-fluoro-2-methylpyridine;5-fluoro-4-methylpyrimidine;methane;2-methyl-4-phenylpyrimidine;2-methyl-4-(trifluoromethyl)-1,3-thiazole;bis(1,4-xylene)
CID 157985475
2-(4,5-dihydroimidazol-3-id-2-yl)pyridine;2-(4,5-dimethylimidazol-3-id-2-yl)pyridine;2-imidazol-3-id-2-ylpyridine;hexakis(iridium);2-(5-methylpyrazol-2-id-3-yl)pyridine;hexakis(2-(2H-naphthalen-2-id-1-yl)-1,3-thiazole);2-pyrazol-2-id-3-ylpyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 160021307
Pentakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(4,5-dimethylimidazol-3-id-2-yl)pyrazine;pentakis(iridium);2-pyrazol-2-id-3-ylpyrazine;2-pyrazol-2-id-3-ylpyridine;2-pyrazol-2-id-3-yl-1,3-thiazole;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 160144606
Pentakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(4,5-dimethylimidazol-3-id-2-yl)pyridine;pentakis(iridium);2-pyrazol-2-id-3-ylpyrazine;2-pyrazol-2-id-3-ylpyridine;2-pyrazol-2-id-3-yl-1,3-thiazole;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 161118654
2-[3-[5-[4-[2-(4-Pyridin-2-yl-2-pyridinyl)pyrimidin-4-yl]pyrimidin-2-yl]pyrimidin-2-yl]pyridazin-4-yl]-4-(1,3-thiazol-4-yl)-1,3-thiazole
CID 123502105
bis(4,5-dimethyl-1,3-thiazole);ethane;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;1-methyltriazole;2-methyltriazole;tris(4-methyl-2H-triazole)
CID 157075524
ethane;1H-imidazole;methane;1-methylimidazole;2-methylpyrazine;bis(1-methylpyrazole);3-methylpyridazine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;1H-pyrrole;1,3-thiazole;thiophene
CID 157090702
Cumene;ethylbenzene;2-ethyl-5-methyl-1,3,4-thiadiazole;2-ethyl-1,3,4-thiadiazole;3-ethyl-1,2,5-thiadiazole;2-(2-methylpropoxy)pyrimidine;2-(2-methylpropylsulfanyl)pyrimidine;methylsulfanylmethane;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;propane;bis(pyridine);bis(pyrimidine);bis(1,3-thiazole)
CID 157122711

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]pyrimidine;2-[2-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]pyrimidine;2-[1-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole;2-[2-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole?
The IUPAC name of 2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]pyrimidine;2-[2-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]pyrimidine;2-[1-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole;2-[2-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole (CID 158570631) is 2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]pyrimidine;2-[2-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]pyrimidine;2-[1-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole;2-[2-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole.
What is the SMILES notation for 2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]pyrimidine;2-[2-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]pyrimidine;2-[1-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole;2-[2-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole?
The canonical SMILES for 2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]pyrimidine;2-[2-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]pyrimidine;2-[1-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole;2-[2-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole is Fc1ccccc1Cn1nc(-c2ccccn2)nc1-c1ncccn1.Fc1ccccc1Cn1nc(-c2ncccn2)nc1-c1ccccn1.Fc1ccccc1Cn1nc(-c2ncccn2)nc1-c1nccs1.Fc1ccccc1Cn1nc(-c2nccs2)nc1-c1ncccn1.
What is the InChIKey of 2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]pyrimidine;2-[2-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]pyrimidine;2-[1-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole;2-[2-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole?
The InChIKey is HSAMRMDRZLLUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H13FN6.2C16H11FN6S/c19-14-7-2-1-6-13(14)12-25-18(15-8-3-4-9-20-15)23-17(24-25)16-21-10-5-11-22-16;19-14-7-2-1-6-13(14)12-25-18(17-21-10-5-11-22-17)23-16(24-25)15-8-3-4-9-20-15;17-12-5-2-1-4-11(12)10-23-15(13-18-6-3-7-19-13)21-14(22-23)16-20-8-9-24-16;17-12-5-2-1-4-11(12)10-23-15(16-20-8-9-24-16)21-14(22-23)13-18-6-3-7-19-13/h2*1-11H,12H2;2*1-9H,10H2.
What are the key properties of 2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]pyrimidine;2-[2-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]pyrimidine;2-[1-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole;2-[2-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole?
2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]pyrimidine;2-[2-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]pyrimidine;2-[1-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole;2-[2-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole has a molecular weight of 1341.43 g/mol, XLogP of 12.06, 16 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]pyrimidine;2-[2-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]pyrimidine;2-[1-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole;2-[2-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole is sourced from PubChem (CID 158570631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).