N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)pyrazol-3-yl]pyrimidin-5-yl]-1-fluorocyclopropane-1-carboxamide;3-fluoro-6-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyridin-2-one;3-[1-[(2-fluorophenyl)methyl]-3-(5-fluoro-2-pyridinyl)pyrazol-5-yl]-1,2-oxazole

C57H41F6N15O5 — CID 157341712

IUPACN-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)pyrazol-3-yl]pyrimidin-5-yl]-1-fluorocyclopropane-1-carboxamide;3-fluoro-6-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyridin-2-one;3-[1-[(2-fluorophenyl)methyl]-3-(5-fluoro-2-pyridinyl)pyrazol-5-yl]-1,2-oxazole
SMILESFc1ccc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)nc1.Nc1nc(-c2cc(-c3ncco3)n(Cc3ccccc3F)n2)ncc1NC(=O)C1(F)CC1.O=c1[nH]c(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)ccc1F
InChIInChI=1S/C21H17F2N7O2.C18H12F2N4O2.C18H12F2N4O/c22-13-4-2-1-3-12(13)11-30-16(19-25-7-8-32-19)9-14(29-30)18-26-10-15(17(24)28-18)27-20(31)21(23)5-6-21;19-12-4-2-1-3-11(12)10-24-17(15-7-8-26-23-15)9-16(22-24)14-6-5-13(20)18(25)21-14;19-13-5-6-15(21-10-13)17-9-18(16-7-8-25-23-16)24(22-17)11-12-3-1-2-4-14(12)20/h1-4,7-10H,5-6,11H2,(H,27,31)(H2,24,26,28);1-9H,10H2,(H,21,25);1-10H,11H2
InChIKeyBGLYTNMMYYTLFE-UHFFFAOYSA-N
MW1130.04 g/mol
LogP10.35
Rot. Bonds14

About N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)pyrazol-3-yl]pyrimidin-5-yl]-1-fluorocyclopropane-1-carboxamide;3-fluoro-6-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyridin-2-one;3-[1-[(2-fluorophenyl)methyl]-3-(5-fluoro-2-pyridinyl)pyrazol-5-yl]-1,2-oxazole

N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)pyrazol-3-yl]pyrimidin-5-yl]-1-fluorocyclopropane-1-carboxamide;3-fluoro-6-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyridin-2-one;3-[1-[(2-fluorophenyl)methyl]-3-(5-fluoro-2-pyridinyl)pyrazol-5-yl]-1,2-oxazole (PubChem CID 157341712) has the molecular formula C57H41F6N15O5 and a molecular weight of 1130.04 g/mol. Its IUPAC name is N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)pyrazol-3-yl]pyrimidin-5-yl]-1-fluorocyclopropane-1-carboxamide;3-fluoro-6-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyridin-2-one;3-[1-[(2-fluorophenyl)methyl]-3-(5-fluoro-2-pyridinyl)pyrazol-5-yl]-1,2-oxazole.

Molecular Properties

Compound NameN-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)pyrazol-3-yl]pyrimidin-5-yl]-1-fluorocyclopropane-1-carboxamide;3-fluoro-6-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyridin-2-one;3-[1-[(2-fluorophenyl)methyl]-3-(5-fluoro-2-pyridinyl)pyrazol-5-yl]-1,2-oxazole
PubChem CID157341712
Molecular FormulaC57H41F6N15O5
Molecular Weight1130.04 g/mol
Exact Mass1129.33
IUPAC NameN-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)pyrazol-3-yl]pyrimidin-5-yl]-1-fluorocyclopropane-1-carboxamide;3-fluoro-6-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyridin-2-one;3-[1-[(2-fluorophenyl)methyl]-3-(5-fluoro-2-pyridinyl)pyrazol-5-yl]-1,2-oxazole
SMILESFc1ccc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)nc1.Nc1nc(-c2cc(-c3ncco3)n(Cc3ccccc3F)n2)ncc1NC(=O)C1(F)CC1.O=c1[nH]c(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)ccc1F
InChIInChI=1S/C21H17F2N7O2.C18H12F2N4O2.C18H12F2N4O/c22-13-4-2-1-3-12(13)11-30-16(19-25-7-8-32-19)9-14(29-30)18-26-10-15(17(24)28-18)27-20(31)21(23)5-6-21;19-12-4-2-1-3-11(12)10-24-17(15-7-8-26-23-15)9-16(22-24)14-6-5-13(20)18(25)21-14;19-13-5-6-15(21-10-13)17-9-18(16-7-8-25-23-16)24(22-17)11-12-3-1-2-4-14(12)20/h1-4,7-10H,5-6,11H2,(H,27,31)(H2,24,26,28);1-9H,10H2,(H,21,25);1-10H,11H2
InChIKeyBGLYTNMMYYTLFE-UHFFFAOYSA-N
XLogP10.35
TPSA258.20 Ų
H-Bond Donors3
H-Bond Acceptors18
Rotatable Bonds14
Heavy Atoms83
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001130.04
LogP ≤ 510.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1018

Analyze N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)pyrazol-3-yl]pyrimidin-5-yl]-1-fluorocyclopropane-1-carboxamide;3-fluoro-6-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyridin-2-one;3-[1-[(2-fluorophenyl)methyl]-3-(5-fluoro-2-pyridinyl)pyrazol-5-yl]-1,2-oxazole with MolForge

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Related Compounds

N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-1,3-oxazole-5-carboxamide
CID 68642207
N-[(2S)-1-[5-(1,1-difluoroethyl)pyrazin-2-yl]oxypropan-2-yl]-N-ethyl-2-methyl-4-phenylpyrimidine-5-carboxamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrazin-2-yl]oxypropan-2-yl]-N-ethyl-6-methyl-3-(triazol-2-yl)pyridine-2-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-fluoro-2-(triazol-2-yl)pyridine-3-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-6-methyl-3-(triazol-2-yl)pyridine-2-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-2-pyrazol-1-yl-5-(trifluoromethyl)pyridine-3-carboxamide;N-ethyl-6-methyl-N-[(2S)-1-[(5-methyl-2-pyridinyl)oxy]propan-2-yl]-3-(triazol-2-yl)pyridine-2-carboxamide
CID 157682785
2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1,1,1-trifluoro-3-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]propan-2-ol;N-(2-cyclopropyl-2-oxoethyl)-3,3,3-trifluoro-2-[[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]methyl]-2-hydroxypropanamide
CID 157821407
tert-butyl 2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-8-oxo-9H-purine-7-carboxylate;2,2-difluoro-N-[2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)pyrazol-3-yl]-6-oxo-1H-pyrimidin-5-yl]-1-methylcyclopropane-1-carboxamide
CID 158008375
[2-[(5-Fluoropyrimidin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(4-methyl-1,3-oxazol-2-yl)-2-pyridinyl]methanone;[6-methyl-3-(4-methyl-1,3-oxazol-2-yl)-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[5-methyl-2-(triazol-2-yl)phenyl]-[2-[[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-(triazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 158051729
deuterium monohydride;7-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-4,4-dimethyl-2-(4-methylphenyl)pyrimido[4,5-d][1,3]oxazine;2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-7-methylidene-6,6-bis(trifluoromethyl)-8H-pyrimido[5,4-b][1,4]oxazine;2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-7-methyl-3H-pyrano[2,3-d]pyrimidine-4,5-dione
CID 158217585
2,4-Dimethyl-1,3-oxazole;bis(3,5-dimethyl-1,2-oxazole);3,6-dimethylpyridazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;1-isocyano-4-methylbenzene;2-isocyano-5-methylpyridine;1-methoxy-4-methylbenzene;2-methoxy-5-methylpyridine;3-methyl-5-phenyl-1,2-oxazole;4-methyl-2-phenyl-1,3-oxazole;2-methylpyrazine;3-methylpyridine;4-methylpyridine;5-methylpyrimidine;1-methyl-4-(trifluoromethyl)benzene;3-methyl-5-(trifluoromethyl)-1,2-oxazole;4-methyl-2-(trifluoromethyl)-1,3-oxazole;bis(5-methyl-3-(trifluoromethyl)-1,2-oxazole);3-methyl-6-(trifluoromethyl)pyridazine;5-methyl-2-(trifluoromethyl)pyridine;5-methyl-2-(trifluoromethyl)pyrimidine;toluene
CID 159376626
N-[4-amino-2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-4-[(dimethylamino)methyl]benzamide;N-[4-amino-2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-1H-pyrrole-2-carboxamide;N-[4-amino-2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-4-(trifluoromethyl)benzamide
CID 159700578
N-[(2S)-1-[[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-methoxy-2-(triazol-2-yl)pyridine-3-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-3-(triazol-2-yl)pyridine-2-carboxamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrazin-2-yl]oxypropan-2-yl]-N-ethyl-6-methyl-3-pyrimidin-2-ylpyridine-2-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-methoxy-2-(triazol-2-yl)pyridine-3-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)pyridine-2-carboxamide;N-ethyl-N-[(2S)-1-[(5-methyl-2-pyridinyl)oxy]propan-2-yl]-2-(triazol-2-yl)pyridine-3-carboxamide
CID 160114796
N-(1-amino-1,2-dioxopentan-3-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2-chloropyrimidin-4-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(2-methylpyrimidin-4-yl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-pyrimidin-4-ylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-phenyl-1-propan-2-ylpyrazole-4-carboxamide;N-[3,4-dioxo-1-phenyl-4-[[4-(trifluoromethoxy)phenyl]methylamino]butan-2-yl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide
CID 160224548
2-cyclopropyl-5-propan-2-yl-1,3,4-oxadiazole;4-cyclopropyl-2-propan-2-yl-1,3-oxazole;2-cyclopropyl-5-propan-2-yl-1,3,4-thiadiazole;5-cyclopropyl-3-propan-2-yl-1H-1,2,4-triazole;2-(1,1-difluoroethyl)-5-propan-2-yl-1,3,4-oxadiazole;2-(1,1-difluoroethyl)-5-propan-2-yl-1,3,4-thiadiazole;3-(1,1-difluoroethyl)-5-propan-2-yl-1H-1,2,4-triazole;1-(2,2-difluoropropyl)-2-propan-2-ylimidazole;4-(1-fluoroethyl)-2-propan-2-ylfuran;5-methyl-2-propan-2-yl-1H-imidazole;bis(2-methyl-5-propan-2-yl-1,3,4-oxadiazole);3-methyl-5-propan-2-yl-1,2,4-oxadiazole;4-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;3-phenyl-5-propan-2-yl-1,2-oxazole;1-phenyl-3-propan-2-ylpyrazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;5-propan-2-yl-3-pyridin-2-yl-1,2,4-oxadiazole;2-propan-2-yl-5-pyridin-2-yl-1,3,4-thiadiazole
CID 160347898
Tert-butylbenzene;tert-butylcyclobutane;5-tert-butyl-3-methyl-1,2,4-oxadiazole;3-tert-butyl-5-methyl-1,2-oxazole;4-tert-butyl-1-methylpyrazole;2-tert-butyl-5-methylpyrimidine;4-tert-butyl-1-methyltriazole;2-tert-butyl-1,3-oxazole;3-tert-butyloxolane;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;5-tert-butylpyrimidine;2-tert-butyl-5-(trifluoromethyl)furan;bis(propan-2-ylcyclopropane);2-propan-2-yloxane;2-propan-2-yloxetane
CID 160685128

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)pyrazol-3-yl]pyrimidin-5-yl]-1-fluorocyclopropane-1-carboxamide;3-fluoro-6-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyridin-2-one;3-[1-[(2-fluorophenyl)methyl]-3-(5-fluoro-2-pyridinyl)pyrazol-5-yl]-1,2-oxazole?
The IUPAC name of N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)pyrazol-3-yl]pyrimidin-5-yl]-1-fluorocyclopropane-1-carboxamide;3-fluoro-6-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyridin-2-one;3-[1-[(2-fluorophenyl)methyl]-3-(5-fluoro-2-pyridinyl)pyrazol-5-yl]-1,2-oxazole (CID 157341712) is N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)pyrazol-3-yl]pyrimidin-5-yl]-1-fluorocyclopropane-1-carboxamide;3-fluoro-6-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyridin-2-one;3-[1-[(2-fluorophenyl)methyl]-3-(5-fluoro-2-pyridinyl)pyrazol-5-yl]-1,2-oxazole.
What is the SMILES notation for N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)pyrazol-3-yl]pyrimidin-5-yl]-1-fluorocyclopropane-1-carboxamide;3-fluoro-6-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyridin-2-one;3-[1-[(2-fluorophenyl)methyl]-3-(5-fluoro-2-pyridinyl)pyrazol-5-yl]-1,2-oxazole?
The canonical SMILES for N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)pyrazol-3-yl]pyrimidin-5-yl]-1-fluorocyclopropane-1-carboxamide;3-fluoro-6-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyridin-2-one;3-[1-[(2-fluorophenyl)methyl]-3-(5-fluoro-2-pyridinyl)pyrazol-5-yl]-1,2-oxazole is Fc1ccc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)nc1.Nc1nc(-c2cc(-c3ncco3)n(Cc3ccccc3F)n2)ncc1NC(=O)C1(F)CC1.O=c1[nH]c(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)ccc1F.
What is the InChIKey of N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)pyrazol-3-yl]pyrimidin-5-yl]-1-fluorocyclopropane-1-carboxamide;3-fluoro-6-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyridin-2-one;3-[1-[(2-fluorophenyl)methyl]-3-(5-fluoro-2-pyridinyl)pyrazol-5-yl]-1,2-oxazole?
The InChIKey is BGLYTNMMYYTLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N7O2.C18H12F2N4O2.C18H12F2N4O/c22-13-4-2-1-3-12(13)11-30-16(19-25-7-8-32-19)9-14(29-30)18-26-10-15(17(24)28-18)27-20(31)21(23)5-6-21;19-12-4-2-1-3-11(12)10-24-17(15-7-8-26-23-15)9-16(22-24)14-6-5-13(20)18(25)21-14;19-13-5-6-15(21-10-13)17-9-18(16-7-8-25-23-16)24(22-17)11-12-3-1-2-4-14(12)20/h1-4,7-10H,5-6,11H2,(H,27,31)(H2,24,26,28);1-9H,10H2,(H,21,25);1-10H,11H2.
What are the key properties of N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)pyrazol-3-yl]pyrimidin-5-yl]-1-fluorocyclopropane-1-carboxamide;3-fluoro-6-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyridin-2-one;3-[1-[(2-fluorophenyl)methyl]-3-(5-fluoro-2-pyridinyl)pyrazol-5-yl]-1,2-oxazole?
N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)pyrazol-3-yl]pyrimidin-5-yl]-1-fluorocyclopropane-1-carboxamide;3-fluoro-6-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyridin-2-one;3-[1-[(2-fluorophenyl)methyl]-3-(5-fluoro-2-pyridinyl)pyrazol-5-yl]-1,2-oxazole has a molecular weight of 1130.04 g/mol, XLogP of 10.35, 14 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)pyrazol-3-yl]pyrimidin-5-yl]-1-fluorocyclopropane-1-carboxamide;3-fluoro-6-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyridin-2-one;3-[1-[(2-fluorophenyl)methyl]-3-(5-fluoro-2-pyridinyl)pyrazol-5-yl]-1,2-oxazole is sourced from PubChem (CID 157341712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).