2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-4-yl)-1,2,4-triazol-3-yl]pyridin-4-amine;4-[2-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-4-pyridinyl]morpholine;2-[1-[(2-fluorophenyl)methyl]-5-(triazol-1-yl)-1,2,4-triazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-(triazol-2-yl)-1,2,4-triazol-3-yl]pyridine

C70H56F4N26O2S — CID 160939903

IUPAC2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-4-yl)-1,2,4-triazol-3-yl]pyridin-4-amine;4-[2-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-4-pyridinyl]morpholine;2-[1-[(2-fluorophenyl)methyl]-5-(triazol-1-yl)-1,2,4-triazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-(triazol-2-yl)-1,2,4-triazol-3-yl]pyridine
SMILESFc1ccccc1Cn1nc(-c2cc(N3CCOCC3)ccn2)nc1-c1nccs1.Fc1ccccc1Cn1nc(-c2ccccn2)nc1-n1ccnn1.Fc1ccccc1Cn1nc(-c2ccccn2)nc1-n1nccn1.Nc1ccnc(-c2nc(-c3cocn3)n(Cc3ccccc3F)n2)c1
InChIInChI=1S/C21H19FN6OS.C17H13FN6O.2C16H12FN7/c22-17-4-2-1-3-15(17)14-28-20(21-24-7-12-30-21)25-19(26-28)18-13-16(5-6-23-18)27-8-10-29-11-9-27;18-13-4-2-1-3-11(13)8-24-17(15-9-25-10-21-15)22-16(23-24)14-7-12(19)5-6-20-14;17-13-6-2-1-5-12(13)11-24-16(23-10-9-19-22-23)20-15(21-24)14-7-3-4-8-18-14;17-13-6-2-1-5-12(13)11-23-16(24-19-9-10-20-24)21-15(22-23)14-7-3-4-8-18-14/h1-7,12-13H,8-11,14H2;1-7,9-10H,8H2,(H2,19,20);2*1-10H,11H2
InChIKeySUJGOTGLXOZMIX-UHFFFAOYSA-N
MW1401.46 g/mol
LogP10.47
Rot. Bonds17

About 2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-4-yl)-1,2,4-triazol-3-yl]pyridin-4-amine;4-[2-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-4-pyridinyl]morpholine;2-[1-[(2-fluorophenyl)methyl]-5-(triazol-1-yl)-1,2,4-triazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-(triazol-2-yl)-1,2,4-triazol-3-yl]pyridine

2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-4-yl)-1,2,4-triazol-3-yl]pyridin-4-amine;4-[2-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-4-pyridinyl]morpholine;2-[1-[(2-fluorophenyl)methyl]-5-(triazol-1-yl)-1,2,4-triazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-(triazol-2-yl)-1,2,4-triazol-3-yl]pyridine (PubChem CID 160939903) has the molecular formula C70H56F4N26O2S and a molecular weight of 1401.46 g/mol. Its IUPAC name is 2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-4-yl)-1,2,4-triazol-3-yl]pyridin-4-amine;4-[2-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-4-pyridinyl]morpholine;2-[1-[(2-fluorophenyl)methyl]-5-(triazol-1-yl)-1,2,4-triazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-(triazol-2-yl)-1,2,4-triazol-3-yl]pyridine.

Molecular Properties

Compound Name2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-4-yl)-1,2,4-triazol-3-yl]pyridin-4-amine;4-[2-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-4-pyridinyl]morpholine;2-[1-[(2-fluorophenyl)methyl]-5-(triazol-1-yl)-1,2,4-triazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-(triazol-2-yl)-1,2,4-triazol-3-yl]pyridine
PubChem CID160939903
Molecular FormulaC70H56F4N26O2S
Molecular Weight1401.46 g/mol
Exact Mass1400.47
IUPAC Name2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-4-yl)-1,2,4-triazol-3-yl]pyridin-4-amine;4-[2-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-4-pyridinyl]morpholine;2-[1-[(2-fluorophenyl)methyl]-5-(triazol-1-yl)-1,2,4-triazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-(triazol-2-yl)-1,2,4-triazol-3-yl]pyridine
SMILESFc1ccccc1Cn1nc(-c2cc(N3CCOCC3)ccn2)nc1-c1nccs1.Fc1ccccc1Cn1nc(-c2ccccn2)nc1-n1ccnn1.Fc1ccccc1Cn1nc(-c2ccccn2)nc1-n1nccn1.Nc1ccnc(-c2nc(-c3cocn3)n(Cc3ccccc3F)n2)c1
InChIInChI=1S/C21H19FN6OS.C17H13FN6O.2C16H12FN7/c22-17-4-2-1-3-15(17)14-28-20(21-24-7-12-30-21)25-19(26-28)18-13-16(5-6-23-18)27-8-10-29-11-9-27;18-13-4-2-1-3-11(13)8-24-17(15-9-25-10-21-15)22-16(23-24)14-7-12(19)5-6-20-14;17-13-6-2-1-5-12(13)11-24-16(23-10-9-19-22-23)20-15(21-24)14-7-3-4-8-18-14;17-13-6-2-1-5-12(13)11-23-16(24-19-9-10-20-24)21-15(22-23)14-7-3-4-8-18-14/h1-7,12-13H,8-11,14H2;1-7,9-10H,8H2,(H2,19,20);2*1-10H,11H2
InChIKeySUJGOTGLXOZMIX-UHFFFAOYSA-N
XLogP10.47
TPSA313.23 Ų
H-Bond Donors1
H-Bond Acceptors29
Rotatable Bonds17
Heavy Atoms103
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001401.46
LogP ≤ 510.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1029

Analyze 2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-4-yl)-1,2,4-triazol-3-yl]pyridin-4-amine;4-[2-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-4-pyridinyl]morpholine;2-[1-[(2-fluorophenyl)methyl]-5-(triazol-1-yl)-1,2,4-triazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-(triazol-2-yl)-1,2,4-triazol-3-yl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Tert-butyl-5-ethyl-1,3,4-thiadiazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;2-tert-butyl-5-methyl-1,3,4-thiadiazole;4-tert-butyl-2-methyl-1,3-thiazole;2-tert-butylpyrimidin-4-amine;4-(1,1-difluoroethyl)-2-ethyl-1,3-thiazole;4-(1,1-difluoroethyl)-1,3-thiazol-2-amine;2,5-dimethyl-1,3,4-oxadiazole;2,4-dimethyl-1,3-oxazole;4-ethyl-2-methyl-1,3-thiazole;(1-ethylpyrazol-4-yl)methanamine;2-ethyl-6-(trifluoromethyl)pyridine;2-ethyl-4-(trifluoromethyl)-1,3-thiazole;5-methyl-1,3,4-thiadiazol-2-amine;(2-methyl-1,3-thiazol-5-yl)methanamine;2-methyl-6-(trifluoromethyl)pyridine;2-methyl-4-(trifluoromethyl)pyrimidine;2-methyl-5-(trifluoromethyl)pyrimidine;2,4,5-trimethyl-1,3-oxazole
CID 161527158
cumene;methane;2-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1H-imidazole;bis(2-propan-2-yl-1,3-oxazole);2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole
CID 161987398
[(2S,3R)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]-3-methylpiperidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methanone;[(2S)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]pyrrolidin-1-yl]-[6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanone;[6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-[(2S,3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone;[(2S,3R)-3-methyl-2-[[(5-methyl-2-pyridinyl)amino]methyl]piperidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)methanone
CID 167707837
1,1-Dideuterioethylbenzene;2-(1,1-dideuterioethyl)-4,6-diphenylpyrimidine;4-(1,1-dideuterioethyl)-2,6-diphenylpyrimidine;2-(1,1-dideuterioethyl)pyrazine;2-(1,1-dideuterioethyl)pyridine;3-(1,1-dideuterioethyl)pyridine;4-(1,1-dideuterioethyl)pyridine;2-(1,1-dideuterioethyl)pyrimidine;4-(1,1-dideuterioethyl)pyrimidine;2-(1,1-dideuterioethyl)-1,3,4-thiadiazole;5-(1,1-dideuterioethyl)-1,2,4-thiadiazole;2-(1,1-dideuterioethyl)-1,3,5-triazine;4-(1,1-dideuterioethyl)-2,5,6-triphenylpyrimidine;4-ethyl-1,3-oxazole;3-ethyl-1,2,4-thiadiazole;4-ethyl-1,3-thiazole
CID 157175113
6-Butylsulfinyl-2-(1-methylimidazol-2-yl)-4-phenylthieno[2,3-d]pyrimidin-5-amine;6-butylsulfinyl-2-(1,3-oxazol-4-yl)-4-phenylthieno[2,3-d]pyrimidin-5-amine;2-butylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-(3-methoxypropylsulfinyl)-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;4-(1-methylimidazol-2-yl)-2-propan-2-ylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine
CID 157213480
ethane;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
CID 157416201
CID 157525435
CID 157525435
ethane;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
CID 158104076
2-Butylsulfanyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;6-butylsulfinyl-2-(1-methylimidazol-2-yl)-4-phenylthieno[2,3-d]pyrimidin-5-amine;6-butylsulfinyl-2-(1,3-oxazol-4-yl)-4-phenylthieno[2,3-d]pyrimidin-5-amine;2-(3-methoxypropylsulfinyl)-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;4-(1-methylimidazol-2-yl)-2-propan-2-ylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;4-(1-methylimidazol-2-yl)-2-propylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
CID 158134580
N-benzyl-2-methylpropan-2-amine;tris(N-tert-butylaniline);N-tert-butyl-1-methylimidazol-2-amine;N-tert-butyl-1-methylimidazol-4-amine;N-tert-butyl-1,3-oxazol-2-amine;N-tert-butyl-1,3-oxazol-4-amine;N-tert-butylpyrazin-2-amine;N-tert-butylpyridin-2-amine;N-tert-butylpyridin-4-amine;N-tert-butylpyrimidin-2-amine;N-tert-butyl-1,3-thiazol-2-amine;N-tert-butyl-1,3-thiazol-4-amine;ethane;methane;2-methyl-N-(pyridin-2-ylmethyl)propan-2-amine;2-methyl-N-(pyridin-4-ylmethyl)propan-2-amine;2-methyl-N-(1,3-thiazol-4-ylmethyl)propan-2-amine;2-methyl-N-(thiophen-2-ylmethyl)propan-2-amine
CID 158142560
methane;2-methyl-1H-imidazole;2-methyl-1,3-oxazole;2-methylpyrazine;3-methylpyridazine;bis(2-methylpyridine);bis(3-methylpyridine);2-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3-thiazole;toluene
CID 158226330
2,2-dimethylpropylbenzene;4-(2,2-dimethylpropyl)-1,2-difluorobenzene;2-(2,2-dimethylpropyl)-3-fluoropyridine;3-(2,2-dimethylpropyl)-5-fluoropyridine;2-(2,2-dimethylpropyl)-6-methylpyrazine;3-(2,2-dimethylpropyl)-1-methylpyrazole;bis(3-(2,2-dimethylpropyl)-5-methyl-1H-pyrazole);5-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole;3-(2,2-dimethylpropyl)-5-methyl-1H-1,2,4-triazole;2-(2,2-dimethylpropyl)-1,3-oxazole;4-(2,2-dimethylpropyl)-1,3-oxazole;5-(2,2-dimethylpropyl)-2-propan-2-yl-1,3-thiazole;5-(2,2-dimethylpropyl)-1H-pyrazole;3-(2,2-dimethylpropyl)pyridazine;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;2-(2,2-dimethylpropyl)pyrimidine;4-(2,2-dimethylpropyl)pyrimidine;2-(2,2-dimethylpropyl)-1,3-thiazole;5-(2,2-dimethylpropyl)-1,3-thiazole;methane
CID 158333279

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-4-yl)-1,2,4-triazol-3-yl]pyridin-4-amine;4-[2-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-4-pyridinyl]morpholine;2-[1-[(2-fluorophenyl)methyl]-5-(triazol-1-yl)-1,2,4-triazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-(triazol-2-yl)-1,2,4-triazol-3-yl]pyridine?
The IUPAC name of 2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-4-yl)-1,2,4-triazol-3-yl]pyridin-4-amine;4-[2-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-4-pyridinyl]morpholine;2-[1-[(2-fluorophenyl)methyl]-5-(triazol-1-yl)-1,2,4-triazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-(triazol-2-yl)-1,2,4-triazol-3-yl]pyridine (CID 160939903) is 2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-4-yl)-1,2,4-triazol-3-yl]pyridin-4-amine;4-[2-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-4-pyridinyl]morpholine;2-[1-[(2-fluorophenyl)methyl]-5-(triazol-1-yl)-1,2,4-triazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-(triazol-2-yl)-1,2,4-triazol-3-yl]pyridine.
What is the SMILES notation for 2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-4-yl)-1,2,4-triazol-3-yl]pyridin-4-amine;4-[2-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-4-pyridinyl]morpholine;2-[1-[(2-fluorophenyl)methyl]-5-(triazol-1-yl)-1,2,4-triazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-(triazol-2-yl)-1,2,4-triazol-3-yl]pyridine?
The canonical SMILES for 2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-4-yl)-1,2,4-triazol-3-yl]pyridin-4-amine;4-[2-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-4-pyridinyl]morpholine;2-[1-[(2-fluorophenyl)methyl]-5-(triazol-1-yl)-1,2,4-triazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-(triazol-2-yl)-1,2,4-triazol-3-yl]pyridine is Fc1ccccc1Cn1nc(-c2cc(N3CCOCC3)ccn2)nc1-c1nccs1.Fc1ccccc1Cn1nc(-c2ccccn2)nc1-n1ccnn1.Fc1ccccc1Cn1nc(-c2ccccn2)nc1-n1nccn1.Nc1ccnc(-c2nc(-c3cocn3)n(Cc3ccccc3F)n2)c1.
What is the InChIKey of 2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-4-yl)-1,2,4-triazol-3-yl]pyridin-4-amine;4-[2-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-4-pyridinyl]morpholine;2-[1-[(2-fluorophenyl)methyl]-5-(triazol-1-yl)-1,2,4-triazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-(triazol-2-yl)-1,2,4-triazol-3-yl]pyridine?
The InChIKey is SUJGOTGLXOZMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN6OS.C17H13FN6O.2C16H12FN7/c22-17-4-2-1-3-15(17)14-28-20(21-24-7-12-30-21)25-19(26-28)18-13-16(5-6-23-18)27-8-10-29-11-9-27;18-13-4-2-1-3-11(13)8-24-17(15-9-25-10-21-15)22-16(23-24)14-7-12(19)5-6-20-14;17-13-6-2-1-5-12(13)11-24-16(23-10-9-19-22-23)20-15(21-24)14-7-3-4-8-18-14;17-13-6-2-1-5-12(13)11-23-16(24-19-9-10-20-24)21-15(22-23)14-7-3-4-8-18-14/h1-7,12-13H,8-11,14H2;1-7,9-10H,8H2,(H2,19,20);2*1-10H,11H2.
What are the key properties of 2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-4-yl)-1,2,4-triazol-3-yl]pyridin-4-amine;4-[2-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-4-pyridinyl]morpholine;2-[1-[(2-fluorophenyl)methyl]-5-(triazol-1-yl)-1,2,4-triazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-(triazol-2-yl)-1,2,4-triazol-3-yl]pyridine?
2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-4-yl)-1,2,4-triazol-3-yl]pyridin-4-amine;4-[2-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-4-pyridinyl]morpholine;2-[1-[(2-fluorophenyl)methyl]-5-(triazol-1-yl)-1,2,4-triazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-(triazol-2-yl)-1,2,4-triazol-3-yl]pyridine has a molecular weight of 1401.46 g/mol, XLogP of 10.47, 17 rotatable bonds, 1 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-4-yl)-1,2,4-triazol-3-yl]pyridin-4-amine;4-[2-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-4-pyridinyl]morpholine;2-[1-[(2-fluorophenyl)methyl]-5-(triazol-1-yl)-1,2,4-triazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-(triazol-2-yl)-1,2,4-triazol-3-yl]pyridine is sourced from PubChem (CID 160939903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).