5-[2-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]-2-methanimidoylpyridin-3-amine;4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-methanimidoyl-N-methylaniline;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methyl-1H-isoindole;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

C114H95F3N20O3 — CID 157113426

IUPAC5-[2-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]-2-methanimidoylpyridin-3-amine;4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-methanimidoyl-N-methylaniline;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methyl-1H-isoindole;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
SMILESCC1=NCc2ccc(-c3cccnc3-c3ccc(F)c(C)c3)cc21.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(OC)c2)cc1N
InChIInChI=1S/C21H17FN2.C20H18FN3.C20H17N3.C18H15FN4O.C18H16N4O.C17H12N4O/c1-13-10-16(7-8-20(13)22)21-18(4-3-9-23-21)15-5-6-17-12-24-14(2)19(17)11-15;1-13-10-15(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;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/h3-11H,12H2,1-2H3;3-12,22-23H,1-2H3;3-13H,1-2H3;2-10,20H,21H2,1H3;2-11,19H,20H2,1H3;1-10,22H,(H,20,21)/b;22-12+;;20-9+;19-10+;
InChIKeyAHCOYNVFVLIEHQ-IFTVRJTBSA-N
MW1850.14 g/mol
LogP25.03
Rot. Bonds18

About 5-[2-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]-2-methanimidoylpyridin-3-amine;4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-methanimidoyl-N-methylaniline;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methyl-1H-isoindole;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

5-[2-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]-2-methanimidoylpyridin-3-amine;4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-methanimidoyl-N-methylaniline;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methyl-1H-isoindole;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 157113426) has the molecular formula C114H95F3N20O3 and a molecular weight of 1850.14 g/mol. Its IUPAC name is 5-[2-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]-2-methanimidoylpyridin-3-amine;4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-methanimidoyl-N-methylaniline;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methyl-1H-isoindole;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 Name5-[2-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]-2-methanimidoylpyridin-3-amine;4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-methanimidoyl-N-methylaniline;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methyl-1H-isoindole;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 CID157113426
Molecular FormulaC114H95F3N20O3
Molecular Weight1850.14 g/mol
Exact Mass1848.78
IUPAC Name5-[2-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]-2-methanimidoylpyridin-3-amine;4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-methanimidoyl-N-methylaniline;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methyl-1H-isoindole;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
SMILESCC1=NCc2ccc(-c3cccnc3-c3ccc(F)c(C)c3)cc21.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(OC)c2)cc1N
InChIInChI=1S/C21H17FN2.C20H18FN3.C20H17N3.C18H15FN4O.C18H16N4O.C17H12N4O/c1-13-10-16(7-8-20(13)22)21-18(4-3-9-23-21)15-5-6-17-12-24-14(2)19(17)11-15;1-13-10-15(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;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/h3-11H,12H2,1-2H3;3-12,22-23H,1-2H3;3-13H,1-2H3;2-10,20H,21H2,1H3;2-11,19H,20H2,1H3;1-10,22H,(H,20,21)/b;22-12+;;20-9+;19-10+;
InChIKeyAHCOYNVFVLIEHQ-IFTVRJTBSA-N
XLogP25.03
TPSA349.18 Ų
H-Bond Donors8
H-Bond Acceptors22
Rotatable Bonds18
Heavy Atoms140
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001850.14
LogP ≤ 525.03
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze 5-[2-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]-2-methanimidoylpyridin-3-amine;4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-methanimidoyl-N-methylaniline;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methyl-1H-isoindole;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 with MolForge

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Related Compounds

(2R)-1-N-[6-(5-fluoro-2-methoxyphenyl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]-3-(1H-indol-3-yl)propane-1,2-diamine
CID 69132633
(2S)-1-N-[6-(5-fluoro-2-methoxyphenyl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]-3-(1H-indol-3-yl)propane-1,2-diamine
CID 69132634
2-[(2S)-2-amino-3-(1H-indol-3-yl)propyl]-6-(5-fluoro-2-methoxyphenyl)-5-(3-methyl-2H-indazol-5-yl)pyridin-3-amine
CID 90696056
N-[[5-[3-fluoro-2-methyl-5-(piperidin-1-ylmethyl)phenyl]-2H-indazol-3-yl]methyl]-6-(4-fluorophenoxy)pyridin-3-amine
CID 123973282
1-cyclopentyl-N-[[5-[3-[4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]methanamine
CID 137033280
3-[4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(3-methoxy-5-methylphenyl)-1H-pyrazolo[3,4-c]pyridine
CID 137033286
N-[[5-[3-[4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine
CID 137033287
3-fluoro-5-[2-[5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]phenol
CID 137033290
3-[4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
CID 137033399
3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-6-methyl-5-(4-methyl-3-pyridinyl)-1H-indazole
CID 137033902
5-[3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1-[2-[3-fluoro-5-[2-(5-pyridin-4-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-pyrrolo[3,2-c]pyridin-4-yl]phenoxy]ethyl-methylamino]pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-ol
CID 137033904
3-[2-[5-(3-cyclohexyloxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]-5-fluorophenol
CID 137033943

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]-2-methanimidoylpyridin-3-amine;4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-methanimidoyl-N-methylaniline;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methyl-1H-isoindole;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 5-[2-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]-2-methanimidoylpyridin-3-amine;4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-methanimidoyl-N-methylaniline;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methyl-1H-isoindole;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 157113426) is 5-[2-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]-2-methanimidoylpyridin-3-amine;4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-methanimidoyl-N-methylaniline;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methyl-1H-isoindole;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 5-[2-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]-2-methanimidoylpyridin-3-amine;4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-methanimidoyl-N-methylaniline;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methyl-1H-isoindole;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 5-[2-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]-2-methanimidoylpyridin-3-amine;4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-methanimidoyl-N-methylaniline;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methyl-1H-isoindole;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 CC1=NCc2ccc(-c3cccnc3-c3ccc(F)c(C)c3)cc21.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(OC)c2)cc1N.
What is the InChIKey of 5-[2-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]-2-methanimidoylpyridin-3-amine;4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-methanimidoyl-N-methylaniline;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methyl-1H-isoindole;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 AHCOYNVFVLIEHQ-IFTVRJTBSA-N. The full InChI is InChI=1S/C21H17FN2.C20H18FN3.C20H17N3.C18H15FN4O.C18H16N4O.C17H12N4O/c1-13-10-16(7-8-20(13)22)21-18(4-3-9-23-21)15-5-6-17-12-24-14(2)19(17)11-15;1-13-10-15(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;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/h3-11H,12H2,1-2H3;3-12,22-23H,1-2H3;3-13H,1-2H3;2-10,20H,21H2,1H3;2-11,19H,20H2,1H3;1-10,22H,(H,20,21)/b;22-12+;;20-9+;19-10+;.
What are the key properties of 5-[2-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]-2-methanimidoylpyridin-3-amine;4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-methanimidoyl-N-methylaniline;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methyl-1H-isoindole;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?
5-[2-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]-2-methanimidoylpyridin-3-amine;4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-methanimidoyl-N-methylaniline;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methyl-1H-isoindole;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 1850.14 g/mol, XLogP of 25.03, 18 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]-2-methanimidoylpyridin-3-amine;4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-methanimidoyl-N-methylaniline;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methyl-1H-isoindole;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 157113426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).