5-aminopyridine-2-carbonitrile;4-bromobenzaldehyde;2-bromo-5-[4-(3,3-difluoroazetidin-1-yl)phenyl]-1,3-oxazole;5-(4-bromophenyl)-1,3-oxazole;5-[4-(3,3-difluoroazetidin-1-yl)phenyl]-1,3-oxazole;5-[[5-[4-(3,3-difluoroazetidin-1-yl)phenyl]-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide;5-[[5-[4-(3,3-difluoroazetidin-1-yl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile

C82H64Br3F8N19O7 — CID 172941830

IUPAC5-aminopyridine-2-carbonitrile;4-bromobenzaldehyde;2-bromo-5-[4-(3,3-difluoroazetidin-1-yl)phenyl]-1,3-oxazole;5-(4-bromophenyl)-1,3-oxazole;5-[4-(3,3-difluoroazetidin-1-yl)phenyl]-1,3-oxazole;5-[[5-[4-(3,3-difluoroazetidin-1-yl)phenyl]-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide;5-[[5-[4-(3,3-difluoroazetidin-1-yl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile
SMILESBrc1ccc(-c2cnco2)cc1.FC1(F)CN(c2ccc(-c3cnc(Br)o3)cc2)C1.FC1(F)CN(c2ccc(-c3cnco3)cc2)C1.N#Cc1ccc(N)cn1.N#Cc1ccc(Nc2ncc(-c3ccc(N4CC(F)(F)C4)cc3)o2)cn1.N/C(=N/O)c1ccc(Nc2ncc(-c3ccc(N4CC(F)(F)C4)cc3)o2)cn1.O=Cc1ccc(Br)cc1
InChIInChI=1S/C18H16F2N6O2.C18H13F2N5O.C12H9BrF2N2O.C12H10F2N2O.C9H6BrNO.C7H5BrO.C6H5N3/c19-18(20)9-26(10-18)13-4-1-11(2-5-13)15-8-23-17(28-15)24-12-3-6-14(22-7-12)16(21)25-27;19-18(20)10-25(11-18)15-5-1-12(2-6-15)16-9-23-17(26-16)24-14-4-3-13(7-21)22-8-14;13-11-16-5-10(18-11)8-1-3-9(4-2-8)17-6-12(14,15)7-17;13-12(14)6-16(7-12)10-3-1-9(2-4-10)11-5-15-8-17-11;10-8-3-1-7(2-4-8)9-5-11-6-12-9;8-7-3-1-6(5-9)2-4-7;7-3-6-2-1-5(8)4-9-6/h1-8,27H,9-10H2,(H2,21,25)(H,23,24);1-6,8-9H,10-11H2,(H,23,24);1-5H,6-7H2;1-5,8H,6-7H2;1-6H;1-5H;1-2,4H,8H2
InChIKeyHCYWRCIATSGVAA-UHFFFAOYSA-N
MW1819.24 g/mol
LogP19.09
Rot. Bonds15

About 5-aminopyridine-2-carbonitrile;4-bromobenzaldehyde;2-bromo-5-[4-(3,3-difluoroazetidin-1-yl)phenyl]-1,3-oxazole;5-(4-bromophenyl)-1,3-oxazole;5-[4-(3,3-difluoroazetidin-1-yl)phenyl]-1,3-oxazole;5-[[5-[4-(3,3-difluoroazetidin-1-yl)phenyl]-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide;5-[[5-[4-(3,3-difluoroazetidin-1-yl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile

5-aminopyridine-2-carbonitrile;4-bromobenzaldehyde;2-bromo-5-[4-(3,3-difluoroazetidin-1-yl)phenyl]-1,3-oxazole;5-(4-bromophenyl)-1,3-oxazole;5-[4-(3,3-difluoroazetidin-1-yl)phenyl]-1,3-oxazole;5-[[5-[4-(3,3-difluoroazetidin-1-yl)phenyl]-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide;5-[[5-[4-(3,3-difluoroazetidin-1-yl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile (PubChem CID 172941830) has the molecular formula C82H64Br3F8N19O7 and a molecular weight of 1819.24 g/mol. Its IUPAC name is 5-aminopyridine-2-carbonitrile;4-bromobenzaldehyde;2-bromo-5-[4-(3,3-difluoroazetidin-1-yl)phenyl]-1,3-oxazole;5-(4-bromophenyl)-1,3-oxazole;5-[4-(3,3-difluoroazetidin-1-yl)phenyl]-1,3-oxazole;5-[[5-[4-(3,3-difluoroazetidin-1-yl)phenyl]-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide;5-[[5-[4-(3,3-difluoroazetidin-1-yl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-aminopyridine-2-carbonitrile;4-bromobenzaldehyde;2-bromo-5-[4-(3,3-difluoroazetidin-1-yl)phenyl]-1,3-oxazole;5-(4-bromophenyl)-1,3-oxazole;5-[4-(3,3-difluoroazetidin-1-yl)phenyl]-1,3-oxazole;5-[[5-[4-(3,3-difluoroazetidin-1-yl)phenyl]-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide;5-[[5-[4-(3,3-difluoroazetidin-1-yl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile
PubChem CID172941830
Molecular FormulaC82H64Br3F8N19O7
Molecular Weight1819.24 g/mol
Exact Mass1815.27
IUPAC Name5-aminopyridine-2-carbonitrile;4-bromobenzaldehyde;2-bromo-5-[4-(3,3-difluoroazetidin-1-yl)phenyl]-1,3-oxazole;5-(4-bromophenyl)-1,3-oxazole;5-[4-(3,3-difluoroazetidin-1-yl)phenyl]-1,3-oxazole;5-[[5-[4-(3,3-difluoroazetidin-1-yl)phenyl]-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide;5-[[5-[4-(3,3-difluoroazetidin-1-yl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile
SMILESBrc1ccc(-c2cnco2)cc1.FC1(F)CN(c2ccc(-c3cnc(Br)o3)cc2)C1.FC1(F)CN(c2ccc(-c3cnco3)cc2)C1.N#Cc1ccc(N)cn1.N#Cc1ccc(Nc2ncc(-c3ccc(N4CC(F)(F)C4)cc3)o2)cn1.N/C(=N/O)c1ccc(Nc2ncc(-c3ccc(N4CC(F)(F)C4)cc3)o2)cn1.O=Cc1ccc(Br)cc1
InChIInChI=1S/C18H16F2N6O2.C18H13F2N5O.C12H9BrF2N2O.C12H10F2N2O.C9H6BrNO.C7H5BrO.C6H5N3/c19-18(20)9-26(10-18)13-4-1-11(2-5-13)15-8-23-17(28-15)24-12-3-6-14(22-7-12)16(21)25-27;19-18(20)10-25(11-18)15-5-1-12(2-6-15)16-9-23-17(26-16)24-14-4-3-13(7-21)22-8-14;13-11-16-5-10(18-11)8-1-3-9(4-2-8)17-6-12(14,15)7-17;13-12(14)6-16(7-12)10-3-1-9(2-4-10)11-5-15-8-17-11;10-8-3-1-7(2-4-8)9-5-11-6-12-9;8-7-3-1-6(5-9)2-4-7;7-3-6-2-1-5(8)4-9-6/h1-8,27H,9-10H2,(H2,21,25)(H,23,24);1-6,8-9H,10-11H2,(H,23,24);1-5H,6-7H2;1-5,8H,6-7H2;1-6H;1-5H;1-2,4H,8H2
InChIKeyHCYWRCIATSGVAA-UHFFFAOYSA-N
XLogP19.09
TPSA355.12 Ų
H-Bond Donors5
H-Bond Acceptors25
Rotatable Bonds15
Heavy Atoms119
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001819.24
LogP ≤ 519.09
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-aminopyridine-2-carbonitrile;4-bromobenzaldehyde;2-bromo-5-[4-(3,3-difluoroazetidin-1-yl)phenyl]-1,3-oxazole;5-(4-bromophenyl)-1,3-oxazole;5-[4-(3,3-difluoroazetidin-1-yl)phenyl]-1,3-oxazole;5-[[5-[4-(3,3-difluoroazetidin-1-yl)phenyl]-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide;5-[[5-[4-(3,3-difluoroazetidin-1-yl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-aminopyridine-2-carbonitrile;4-bromobenzaldehyde;2-bromo-5-[4-(3,3-difluoroazetidin-1-yl)phenyl]-1,3-oxazole;5-(4-bromophenyl)-1,3-oxazole;5-[4-(3,3-difluoroazetidin-1-yl)phenyl]-1,3-oxazole;5-[[5-[4-(3,3-difluoroazetidin-1-yl)phenyl]-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide;5-[[5-[4-(3,3-difluoroazetidin-1-yl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile?
The IUPAC name of 5-aminopyridine-2-carbonitrile;4-bromobenzaldehyde;2-bromo-5-[4-(3,3-difluoroazetidin-1-yl)phenyl]-1,3-oxazole;5-(4-bromophenyl)-1,3-oxazole;5-[4-(3,3-difluoroazetidin-1-yl)phenyl]-1,3-oxazole;5-[[5-[4-(3,3-difluoroazetidin-1-yl)phenyl]-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide;5-[[5-[4-(3,3-difluoroazetidin-1-yl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile (CID 172941830) is 5-aminopyridine-2-carbonitrile;4-bromobenzaldehyde;2-bromo-5-[4-(3,3-difluoroazetidin-1-yl)phenyl]-1,3-oxazole;5-(4-bromophenyl)-1,3-oxazole;5-[4-(3,3-difluoroazetidin-1-yl)phenyl]-1,3-oxazole;5-[[5-[4-(3,3-difluoroazetidin-1-yl)phenyl]-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide;5-[[5-[4-(3,3-difluoroazetidin-1-yl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile.
What is the SMILES notation for 5-aminopyridine-2-carbonitrile;4-bromobenzaldehyde;2-bromo-5-[4-(3,3-difluoroazetidin-1-yl)phenyl]-1,3-oxazole;5-(4-bromophenyl)-1,3-oxazole;5-[4-(3,3-difluoroazetidin-1-yl)phenyl]-1,3-oxazole;5-[[5-[4-(3,3-difluoroazetidin-1-yl)phenyl]-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide;5-[[5-[4-(3,3-difluoroazetidin-1-yl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile?
The canonical SMILES for 5-aminopyridine-2-carbonitrile;4-bromobenzaldehyde;2-bromo-5-[4-(3,3-difluoroazetidin-1-yl)phenyl]-1,3-oxazole;5-(4-bromophenyl)-1,3-oxazole;5-[4-(3,3-difluoroazetidin-1-yl)phenyl]-1,3-oxazole;5-[[5-[4-(3,3-difluoroazetidin-1-yl)phenyl]-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide;5-[[5-[4-(3,3-difluoroazetidin-1-yl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile is Brc1ccc(-c2cnco2)cc1.FC1(F)CN(c2ccc(-c3cnc(Br)o3)cc2)C1.FC1(F)CN(c2ccc(-c3cnco3)cc2)C1.N#Cc1ccc(N)cn1.N#Cc1ccc(Nc2ncc(-c3ccc(N4CC(F)(F)C4)cc3)o2)cn1.N/C(=N/O)c1ccc(Nc2ncc(-c3ccc(N4CC(F)(F)C4)cc3)o2)cn1.O=Cc1ccc(Br)cc1.
What is the InChIKey of 5-aminopyridine-2-carbonitrile;4-bromobenzaldehyde;2-bromo-5-[4-(3,3-difluoroazetidin-1-yl)phenyl]-1,3-oxazole;5-(4-bromophenyl)-1,3-oxazole;5-[4-(3,3-difluoroazetidin-1-yl)phenyl]-1,3-oxazole;5-[[5-[4-(3,3-difluoroazetidin-1-yl)phenyl]-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide;5-[[5-[4-(3,3-difluoroazetidin-1-yl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile?
The InChIKey is HCYWRCIATSGVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N6O2.C18H13F2N5O.C12H9BrF2N2O.C12H10F2N2O.C9H6BrNO.C7H5BrO.C6H5N3/c19-18(20)9-26(10-18)13-4-1-11(2-5-13)15-8-23-17(28-15)24-12-3-6-14(22-7-12)16(21)25-27;19-18(20)10-25(11-18)15-5-1-12(2-6-15)16-9-23-17(26-16)24-14-4-3-13(7-21)22-8-14;13-11-16-5-10(18-11)8-1-3-9(4-2-8)17-6-12(14,15)7-17;13-12(14)6-16(7-12)10-3-1-9(2-4-10)11-5-15-8-17-11;10-8-3-1-7(2-4-8)9-5-11-6-12-9;8-7-3-1-6(5-9)2-4-7;7-3-6-2-1-5(8)4-9-6/h1-8,27H,9-10H2,(H2,21,25)(H,23,24);1-6,8-9H,10-11H2,(H,23,24);1-5H,6-7H2;1-5,8H,6-7H2;1-6H;1-5H;1-2,4H,8H2.
What are the key properties of 5-aminopyridine-2-carbonitrile;4-bromobenzaldehyde;2-bromo-5-[4-(3,3-difluoroazetidin-1-yl)phenyl]-1,3-oxazole;5-(4-bromophenyl)-1,3-oxazole;5-[4-(3,3-difluoroazetidin-1-yl)phenyl]-1,3-oxazole;5-[[5-[4-(3,3-difluoroazetidin-1-yl)phenyl]-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide;5-[[5-[4-(3,3-difluoroazetidin-1-yl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile?
5-aminopyridine-2-carbonitrile;4-bromobenzaldehyde;2-bromo-5-[4-(3,3-difluoroazetidin-1-yl)phenyl]-1,3-oxazole;5-(4-bromophenyl)-1,3-oxazole;5-[4-(3,3-difluoroazetidin-1-yl)phenyl]-1,3-oxazole;5-[[5-[4-(3,3-difluoroazetidin-1-yl)phenyl]-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide;5-[[5-[4-(3,3-difluoroazetidin-1-yl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile has a molecular weight of 1819.24 g/mol, XLogP of 19.09, 15 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 5-aminopyridine-2-carbonitrile;4-bromobenzaldehyde;2-bromo-5-[4-(3,3-difluoroazetidin-1-yl)phenyl]-1,3-oxazole;5-(4-bromophenyl)-1,3-oxazole;5-[4-(3,3-difluoroazetidin-1-yl)phenyl]-1,3-oxazole;5-[[5-[4-(3,3-difluoroazetidin-1-yl)phenyl]-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide;5-[[5-[4-(3,3-difluoroazetidin-1-yl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile is sourced from PubChem (CID 172941830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).