2-amino-6-fluoro-4-methoxybenzonitrile;3,3-difluoro-1-methylpiperidin-4-ol;bis(5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-[2-fluoro-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-7-methoxyquinazolin-4-amine);5-fluoro-N-[2-fluoro-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-7-methoxyquinazolin-4-amine;7-(5-fluoro-2-methyl-4-nitrophenoxy)-[1,2,4]triazolo[1,5-a]pyridine;2-fluoro-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)aniline;methyl thiohypofluorite

C119H109F14N31O14S — CID 161388451

About 2-amino-6-fluoro-4-methoxybenzonitrile;3,3-difluoro-1-methylpiperidin-4-ol;bis(5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-[2-fluoro-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-7-methoxyquinazolin-4-amine);5-fluoro-N-[2-fluoro-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-7-methoxyquinazolin-4-amine;7-(5-fluoro-2-methyl-4-nitrophenoxy)-[1,2,4]triazolo[1,5-a]pyridine;2-fluoro-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)aniline;methyl thiohypofluorite

2-amino-6-fluoro-4-methoxybenzonitrile;3,3-difluoro-1-methylpiperidin-4-ol;bis(5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-[2-fluoro-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-7-methoxyquinazolin-4-amine);5-fluoro-N-[2-fluoro-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-7-methoxyquinazolin-4-amine;7-(5-fluoro-2-methyl-4-nitrophenoxy)-[1,2,4]triazolo[1,5-a]pyridine;2-fluoro-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)aniline;methyl thiohypofluorite (PubChem CID 161388451) has the molecular formula C119H109F14N31O14S and a molecular weight of 2495.42 g/mol. Its IUPAC name is 2-amino-6-fluoro-4-methoxybenzonitrile;3,3-difluoro-1-methylpiperidin-4-ol;bis(5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-[2-fluoro-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-7-methoxyquinazolin-4-amine);5-fluoro-N-[2-fluoro-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-7-methoxyquinazolin-4-amine;7-(5-fluoro-2-methyl-4-nitrophenoxy)-[1,2,4]triazolo[1,5-a]pyridine;2-fluoro-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)aniline;methyl thiohypofluorite.

Molecular Properties

• Compound Name: 2-amino-6-fluoro-4-methoxybenzonitrile;3,3-difluoro-1-methylpiperidin-4-ol;bis(5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-[2-fluoro-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-7-methoxyquinazolin-4-amine);5-fluoro-N-[2-fluoro-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-7-methoxyquinazolin-4-amine;7-(5-fluoro-2-methyl-4-nitrophenoxy)-[1,2,4]triazolo[1,5-a]pyridine;2-fluoro-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)aniline;methyl thiohypofluorite
• PubChem CID: 161388451
• Molecular Formula: C119H109F14N31O14S
• Molecular Weight: 2495.42 g/mol
• Exact Mass: 2493.83
• IUPAC Name: 2-amino-6-fluoro-4-methoxybenzonitrile;3,3-difluoro-1-methylpiperidin-4-ol;bis(5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-[2-fluoro-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-7-methoxyquinazolin-4-amine);5-fluoro-N-[2-fluoro-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-7-methoxyquinazolin-4-amine;7-(5-fluoro-2-methyl-4-nitrophenoxy)-[1,2,4]triazolo[1,5-a]pyridine;2-fluoro-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)aniline;methyl thiohypofluorite
• SMILES: CN1CCC(O)C(F)(F)C1.COc1cc(F)c2c(Nc3cc(C)c(Oc4ccn5ncnc5c4)cc3F)ncnc2c1.COc1cc(N)c(C#N)c(F)c1.COc1cc(OC2CCN(C)CC2(F)F)c2c(Nc3cc(C)c(Oc4ccn5ncnc5c4)cc3F)ncnc2c1.COc1cc(OC2CCN(C)CC2(F)F)c2c(Nc3cc(C)c(Oc4ccn5ncnc5c4)cc3F)ncnc2c1.CSF.Cc1cc(N)c(F)cc1Oc1ccn2ncnc2c1.Cc1cc([N+](=O)[O-])c(F)cc1Oc1ccn2ncnc2c1
• InChI: InChI=1S/2C28H26F3N7O3.C22H16F2N6O2.C13H9FN4O3.C13H11FN4O.C8H7FN2O.C6H11F2NO.CH3FS/c2*1-16-8-20(19(29)12-22(16)40-17-4-7-38-25(11-17)33-15-35-38)36-27-26-21(32-14-34-27)9-18(39-3)10-23(26)41-24-5-6-37(2)13-28(24,30)31;1-12-5-17(29-22-21-16(24)6-14(31-2)7-18(21)25-10-27-22)15(23)9-19(12)32-13-3-4-30-20(8-13)26-11-28-30;1-8-4-11(18(19)20)10(14)6-12(8)21-9-2-3-17-13(5-9)15-7-16-17;1-8-4-11(15)10(14)6-12(8)19-9-2-3-18-13(5-9)16-7-17-18;1-12-5-2-7(9)6(4-10)8(11)3-5;1-9-3-2-5(10)6(7,8)4-9;1-3-2/h2*4,7-12,14-15,24H,5-6,13H2,1-3H3,(H,32,34,36);3-11H,1-2H3,(H,25,27,29);2-7H,1H3;2-7H,15H2,1H3;2-3H,11H2,1H3;5,10H,2-4H2,1H3;1H3
• InChIKey: VSQSQZAUUGCOCM-UHFFFAOYSA-N
• XLogP: 23.84
• TPSA: 514.83 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 45
• Rotatable Bonds: 25
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2495.42
LogP ≤ 5	23.84
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	45

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-fluoro-4-methoxybenzonitrile;3,3-difluoro-1-methylpiperidin-4-ol;bis(5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-[2-fluoro-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-7-methoxyquinazolin-4-amine);5-fluoro-N-[2-fluoro-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-7-methoxyquinazolin-4-amine;7-(5-fluoro-2-methyl-4-nitrophenoxy)-[1,2,4]triazolo[1,5-a]pyridine;2-fluoro-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)aniline;methyl thiohypofluorite?

The IUPAC name of 2-amino-6-fluoro-4-methoxybenzonitrile;3,3-difluoro-1-methylpiperidin-4-ol;bis(5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-[2-fluoro-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-7-methoxyquinazolin-4-amine);5-fluoro-N-[2-fluoro-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-7-methoxyquinazolin-4-amine;7-(5-fluoro-2-methyl-4-nitrophenoxy)-[1,2,4]triazolo[1,5-a]pyridine;2-fluoro-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)aniline;methyl thiohypofluorite (CID 161388451) is 2-amino-6-fluoro-4-methoxybenzonitrile;3,3-difluoro-1-methylpiperidin-4-ol;bis(5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-[2-fluoro-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-7-methoxyquinazolin-4-amine);5-fluoro-N-[2-fluoro-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-7-methoxyquinazolin-4-amine;7-(5-fluoro-2-methyl-4-nitrophenoxy)-[1,2,4]triazolo[1,5-a]pyridine;2-fluoro-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)aniline;methyl thiohypofluorite.

What is the SMILES notation for 2-amino-6-fluoro-4-methoxybenzonitrile;3,3-difluoro-1-methylpiperidin-4-ol;bis(5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-[2-fluoro-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-7-methoxyquinazolin-4-amine);5-fluoro-N-[2-fluoro-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-7-methoxyquinazolin-4-amine;7-(5-fluoro-2-methyl-4-nitrophenoxy)-[1,2,4]triazolo[1,5-a]pyridine;2-fluoro-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)aniline;methyl thiohypofluorite?

The canonical SMILES for 2-amino-6-fluoro-4-methoxybenzonitrile;3,3-difluoro-1-methylpiperidin-4-ol;bis(5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-[2-fluoro-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-7-methoxyquinazolin-4-amine);5-fluoro-N-[2-fluoro-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-7-methoxyquinazolin-4-amine;7-(5-fluoro-2-methyl-4-nitrophenoxy)-[1,2,4]triazolo[1,5-a]pyridine;2-fluoro-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)aniline;methyl thiohypofluorite is CN1CCC(O)C(F)(F)C1.COc1cc(F)c2c(Nc3cc(C)c(Oc4ccn5ncnc5c4)cc3F)ncnc2c1.COc1cc(N)c(C#N)c(F)c1.COc1cc(OC2CCN(C)CC2(F)F)c2c(Nc3cc(C)c(Oc4ccn5ncnc5c4)cc3F)ncnc2c1.COc1cc(OC2CCN(C)CC2(F)F)c2c(Nc3cc(C)c(Oc4ccn5ncnc5c4)cc3F)ncnc2c1.CSF.Cc1cc(N)c(F)cc1Oc1ccn2ncnc2c1.Cc1cc([N+](=O)[O-])c(F)cc1Oc1ccn2ncnc2c1.

What is the InChIKey of 2-amino-6-fluoro-4-methoxybenzonitrile;3,3-difluoro-1-methylpiperidin-4-ol;bis(5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-[2-fluoro-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-7-methoxyquinazolin-4-amine);5-fluoro-N-[2-fluoro-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-7-methoxyquinazolin-4-amine;7-(5-fluoro-2-methyl-4-nitrophenoxy)-[1,2,4]triazolo[1,5-a]pyridine;2-fluoro-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)aniline;methyl thiohypofluorite?

The InChIKey is VSQSQZAUUGCOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C28H26F3N7O3.C22H16F2N6O2.C13H9FN4O3.C13H11FN4O.C8H7FN2O.C6H11F2NO.CH3FS/c2*1-16-8-20(19(29)12-22(16)40-17-4-7-38-25(11-17)33-15-35-38)36-27-26-21(32-14-34-27)9-18(39-3)10-23(26)41-24-5-6-37(2)13-28(24,30)31;1-12-5-17(29-22-21-16(24)6-14(31-2)7-18(21)25-10-27-22)15(23)9-19(12)32-13-3-4-30-20(8-13)26-11-28-30;1-8-4-11(18(19)20)10(14)6-12(8)21-9-2-3-17-13(5-9)15-7-16-17;1-8-4-11(15)10(14)6-12(8)19-9-2-3-18-13(5-9)16-7-17-18;1-12-5-2-7(9)6(4-10)8(11)3-5;1-9-3-2-5(10)6(7,8)4-9;1-3-2/h2*4,7-12,14-15,24H,5-6,13H2,1-3H3,(H,32,34,36);3-11H,1-2H3,(H,25,27,29);2-7H,1H3;2-7H,15H2,1H3;2-3H,11H2,1H3;5,10H,2-4H2,1H3;1H3.

What are the key properties of 2-amino-6-fluoro-4-methoxybenzonitrile;3,3-difluoro-1-methylpiperidin-4-ol;bis(5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-[2-fluoro-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-7-methoxyquinazolin-4-amine);5-fluoro-N-[2-fluoro-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-7-methoxyquinazolin-4-amine;7-(5-fluoro-2-methyl-4-nitrophenoxy)-[1,2,4]triazolo[1,5-a]pyridine;2-fluoro-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)aniline;methyl thiohypofluorite?

2-amino-6-fluoro-4-methoxybenzonitrile;3,3-difluoro-1-methylpiperidin-4-ol;bis(5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-[2-fluoro-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-7-methoxyquinazolin-4-amine);5-fluoro-N-[2-fluoro-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-7-methoxyquinazolin-4-amine;7-(5-fluoro-2-methyl-4-nitrophenoxy)-[1,2,4]triazolo[1,5-a]pyridine;2-fluoro-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)aniline;methyl thiohypofluorite has a molecular weight of 2495.42 g/mol, XLogP of 23.84, 25 rotatable bonds, 6 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-6-fluoro-4-methoxybenzonitrile;3,3-difluoro-1-methylpiperidin-4-ol;bis(5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-[2-fluoro-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-7-methoxyquinazolin-4-amine);5-fluoro-N-[2-fluoro-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-7-methoxyquinazolin-4-amine;7-(5-fluoro-2-methyl-4-nitrophenoxy)-[1,2,4]triazolo[1,5-a]pyridine;2-fluoro-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)aniline;methyl thiohypofluorite is sourced from PubChem (CID 161388451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).