3-[3-(5-amino-6-methanimidoyl-3-pyridinyl)-2-pyridinyl]benzonitrile;5-[2-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]-2-methanimidoylpyridin-3-amine;4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-methanimidoyl-N-methylaniline;2-methanimidoyl-5-[2-(3-methoxyphenyl)-3-pyridinyl]pyridin-3-amine;1-methyl-5-[2-(3-methylphenyl)-3-pyridinyl]indazole;3-[3-(1H-pyrazolo[4,5-b]pyridin-6-yl)-2-pyridinyl]phenol

C111H91F2N23O3 — CID 159901268

About 3-[3-(5-amino-6-methanimidoyl-3-pyridinyl)-2-pyridinyl]benzonitrile;5-[2-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]-2-methanimidoylpyridin-3-amine;4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-methanimidoyl-N-methylaniline;2-methanimidoyl-5-[2-(3-methoxyphenyl)-3-pyridinyl]pyridin-3-amine;1-methyl-5-[2-(3-methylphenyl)-3-pyridinyl]indazole;3-[3-(1H-pyrazolo[4,5-b]pyridin-6-yl)-2-pyridinyl]phenol

3-[3-(5-amino-6-methanimidoyl-3-pyridinyl)-2-pyridinyl]benzonitrile;5-[2-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]-2-methanimidoylpyridin-3-amine;4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-methanimidoyl-N-methylaniline;2-methanimidoyl-5-[2-(3-methoxyphenyl)-3-pyridinyl]pyridin-3-amine;1-methyl-5-[2-(3-methylphenyl)-3-pyridinyl]indazole;3-[3-(1H-pyrazolo[4,5-b]pyridin-6-yl)-2-pyridinyl]phenol (PubChem CID 159901268) has the molecular formula C111H91F2N23O3 and a molecular weight of 1833.10 g/mol. Its IUPAC name is 3-[3-(5-amino-6-methanimidoyl-3-pyridinyl)-2-pyridinyl]benzonitrile;5-[2-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]-2-methanimidoylpyridin-3-amine;4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-methanimidoyl-N-methylaniline;2-methanimidoyl-5-[2-(3-methoxyphenyl)-3-pyridinyl]pyridin-3-amine;1-methyl-5-[2-(3-methylphenyl)-3-pyridinyl]indazole;3-[3-(1H-pyrazolo[4,5-b]pyridin-6-yl)-2-pyridinyl]phenol.

Molecular Properties

• Compound Name: 3-[3-(5-amino-6-methanimidoyl-3-pyridinyl)-2-pyridinyl]benzonitrile;5-[2-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]-2-methanimidoylpyridin-3-amine;4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-methanimidoyl-N-methylaniline;2-methanimidoyl-5-[2-(3-methoxyphenyl)-3-pyridinyl]pyridin-3-amine;1-methyl-5-[2-(3-methylphenyl)-3-pyridinyl]indazole;3-[3-(1H-pyrazolo[4,5-b]pyridin-6-yl)-2-pyridinyl]phenol
• PubChem CID: 159901268
• Molecular Formula: C111H91F2N23O3
• Molecular Weight: 1833.10 g/mol
• Exact Mass: 1831.76
• IUPAC Name: 3-[3-(5-amino-6-methanimidoyl-3-pyridinyl)-2-pyridinyl]benzonitrile;5-[2-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]-2-methanimidoylpyridin-3-amine;4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-methanimidoyl-N-methylaniline;2-methanimidoyl-5-[2-(3-methoxyphenyl)-3-pyridinyl]pyridin-3-amine;1-methyl-5-[2-(3-methylphenyl)-3-pyridinyl]indazole;3-[3-(1H-pyrazolo[4,5-b]pyridin-6-yl)-2-pyridinyl]phenol
• SMILES: Cc1cccc(-c2ncccc2-c2ccc3c(cnn3C)c2)c1.Oc1cccc(-c2ncccc2-c2cnc3cn[nH]c3c2)c1.[H]/N=C/c1cc(-c2cccnc2-c2ccc(F)c(C)c2)ccc1NC.[H]/N=C/c1ncc(-c2cccnc2-c2ccc(F)c(OC)c2)cc1N.[H]/N=C/c1ncc(-c2cccnc2-c2cccc(C#N)c2)cc1N.[H]/N=C/c1ncc(-c2cccnc2-c2cccc(OC)c2)cc1N
• InChI: InChI=1S/C20H18FN3.C20H17N3.C18H15FN4O.C18H13N5.C18H16N4O.C17H12N4O/c1-13-10-15(5-7-18(13)21)20-17(4-3-9-24-20)14-6-8-19(23-2)16(11-14)12-22;1-14-5-3-6-16(11-14)20-18(7-4-10-21-20)15-8-9-19-17(12-15)13-22-23(19)2;1-24-17-8-11(4-5-14(17)19)18-13(3-2-6-22-18)12-7-15(21)16(9-20)23-10-12;19-9-12-3-1-4-13(7-12)18-15(5-2-6-22-18)14-8-16(21)17(10-20)23-11-14;1-23-14-5-2-4-12(8-14)18-15(6-3-7-21-18)13-9-16(20)17(10-19)22-11-13;22-13-4-1-3-11(7-13)17-14(5-2-6-18-17)12-8-15-16(19-9-12)10-20-21-15/h3-12,22-23H,1-2H3;3-13H,1-2H3;2-10,20H,21H2,1H3;1-8,10-11,20H,21H2;2-11,19H,20H2,1H3;1-10,22H,(H,20,21)/b22-12+;;20-9+;20-10+;19-10+
• InChIKey: NVZHZGSGDWHVND-VJZNPODFSA-N
• XLogP: 23.11
• TPSA: 423.37 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 25
• Rotatable Bonds: 19
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1833.10
LogP ≤ 5	23.11
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[3-(5-amino-6-methanimidoyl-3-pyridinyl)-2-pyridinyl]benzonitrile;5-[2-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]-2-methanimidoylpyridin-3-amine;4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-methanimidoyl-N-methylaniline;2-methanimidoyl-5-[2-(3-methoxyphenyl)-3-pyridinyl]pyridin-3-amine;1-methyl-5-[2-(3-methylphenyl)-3-pyridinyl]indazole;3-[3-(1H-pyrazolo[4,5-b]pyridin-6-yl)-2-pyridinyl]phenol?

The IUPAC name of 3-[3-(5-amino-6-methanimidoyl-3-pyridinyl)-2-pyridinyl]benzonitrile;5-[2-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]-2-methanimidoylpyridin-3-amine;4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-methanimidoyl-N-methylaniline;2-methanimidoyl-5-[2-(3-methoxyphenyl)-3-pyridinyl]pyridin-3-amine;1-methyl-5-[2-(3-methylphenyl)-3-pyridinyl]indazole;3-[3-(1H-pyrazolo[4,5-b]pyridin-6-yl)-2-pyridinyl]phenol (CID 159901268) is 3-[3-(5-amino-6-methanimidoyl-3-pyridinyl)-2-pyridinyl]benzonitrile;5-[2-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]-2-methanimidoylpyridin-3-amine;4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-methanimidoyl-N-methylaniline;2-methanimidoyl-5-[2-(3-methoxyphenyl)-3-pyridinyl]pyridin-3-amine;1-methyl-5-[2-(3-methylphenyl)-3-pyridinyl]indazole;3-[3-(1H-pyrazolo[4,5-b]pyridin-6-yl)-2-pyridinyl]phenol.

What is the SMILES notation for 3-[3-(5-amino-6-methanimidoyl-3-pyridinyl)-2-pyridinyl]benzonitrile;5-[2-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]-2-methanimidoylpyridin-3-amine;4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-methanimidoyl-N-methylaniline;2-methanimidoyl-5-[2-(3-methoxyphenyl)-3-pyridinyl]pyridin-3-amine;1-methyl-5-[2-(3-methylphenyl)-3-pyridinyl]indazole;3-[3-(1H-pyrazolo[4,5-b]pyridin-6-yl)-2-pyridinyl]phenol?

The canonical SMILES for 3-[3-(5-amino-6-methanimidoyl-3-pyridinyl)-2-pyridinyl]benzonitrile;5-[2-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]-2-methanimidoylpyridin-3-amine;4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-methanimidoyl-N-methylaniline;2-methanimidoyl-5-[2-(3-methoxyphenyl)-3-pyridinyl]pyridin-3-amine;1-methyl-5-[2-(3-methylphenyl)-3-pyridinyl]indazole;3-[3-(1H-pyrazolo[4,5-b]pyridin-6-yl)-2-pyridinyl]phenol is Cc1cccc(-c2ncccc2-c2ccc3c(cnn3C)c2)c1.Oc1cccc(-c2ncccc2-c2cnc3cn[nH]c3c2)c1.[H]/N=C/c1cc(-c2cccnc2-c2ccc(F)c(C)c2)ccc1NC.[H]/N=C/c1ncc(-c2cccnc2-c2ccc(F)c(OC)c2)cc1N.[H]/N=C/c1ncc(-c2cccnc2-c2cccc(C#N)c2)cc1N.[H]/N=C/c1ncc(-c2cccnc2-c2cccc(OC)c2)cc1N.

What is the InChIKey of 3-[3-(5-amino-6-methanimidoyl-3-pyridinyl)-2-pyridinyl]benzonitrile;5-[2-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]-2-methanimidoylpyridin-3-amine;4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-methanimidoyl-N-methylaniline;2-methanimidoyl-5-[2-(3-methoxyphenyl)-3-pyridinyl]pyridin-3-amine;1-methyl-5-[2-(3-methylphenyl)-3-pyridinyl]indazole;3-[3-(1H-pyrazolo[4,5-b]pyridin-6-yl)-2-pyridinyl]phenol?

The InChIKey is NVZHZGSGDWHVND-VJZNPODFSA-N. The full InChI is InChI=1S/C20H18FN3.C20H17N3.C18H15FN4O.C18H13N5.C18H16N4O.C17H12N4O/c1-13-10-15(5-7-18(13)21)20-17(4-3-9-24-20)14-6-8-19(23-2)16(11-14)12-22;1-14-5-3-6-16(11-14)20-18(7-4-10-21-20)15-8-9-19-17(12-15)13-22-23(19)2;1-24-17-8-11(4-5-14(17)19)18-13(3-2-6-22-18)12-7-15(21)16(9-20)23-10-12;19-9-12-3-1-4-13(7-12)18-15(5-2-6-22-18)14-8-16(21)17(10-20)23-11-14;1-23-14-5-2-4-12(8-14)18-15(6-3-7-21-18)13-9-16(20)17(10-19)22-11-13;22-13-4-1-3-11(7-13)17-14(5-2-6-18-17)12-8-15-16(19-9-12)10-20-21-15/h3-12,22-23H,1-2H3;3-13H,1-2H3;2-10,20H,21H2,1H3;1-8,10-11,20H,21H2;2-11,19H,20H2,1H3;1-10,22H,(H,20,21)/b22-12+;;20-9+;20-10+;19-10+;.

What are the key properties of 3-[3-(5-amino-6-methanimidoyl-3-pyridinyl)-2-pyridinyl]benzonitrile;5-[2-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]-2-methanimidoylpyridin-3-amine;4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-methanimidoyl-N-methylaniline;2-methanimidoyl-5-[2-(3-methoxyphenyl)-3-pyridinyl]pyridin-3-amine;1-methyl-5-[2-(3-methylphenyl)-3-pyridinyl]indazole;3-[3-(1H-pyrazolo[4,5-b]pyridin-6-yl)-2-pyridinyl]phenol?

3-[3-(5-amino-6-methanimidoyl-3-pyridinyl)-2-pyridinyl]benzonitrile;5-[2-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]-2-methanimidoylpyridin-3-amine;4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-methanimidoyl-N-methylaniline;2-methanimidoyl-5-[2-(3-methoxyphenyl)-3-pyridinyl]pyridin-3-amine;1-methyl-5-[2-(3-methylphenyl)-3-pyridinyl]indazole;3-[3-(1H-pyrazolo[4,5-b]pyridin-6-yl)-2-pyridinyl]phenol has a molecular weight of 1833.10 g/mol, XLogP of 23.11, 19 rotatable bonds, 10 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-(5-amino-6-methanimidoyl-3-pyridinyl)-2-pyridinyl]benzonitrile;5-[2-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]-2-methanimidoylpyridin-3-amine;4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-methanimidoyl-N-methylaniline;2-methanimidoyl-5-[2-(3-methoxyphenyl)-3-pyridinyl]pyridin-3-amine;1-methyl-5-[2-(3-methylphenyl)-3-pyridinyl]indazole;3-[3-(1H-pyrazolo[4,5-b]pyridin-6-yl)-2-pyridinyl]phenol is sourced from PubChem (CID 159901268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).