2-fluoro-5-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzamide;2-fluoro-5-[3-(1H-isoindol-5-yl)-2-pyridinyl]-N,N-dimethylbenzamide;2-fluoro-5-[3-(1H-isoindol-5-yl)-2-pyridinyl]-N-propylbenzamide;5-[2-(2-fluorophenyl)-3-pyridinyl]-2-methanimidoylaniline;5-[2-[4-fluoro-3-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-isoindole;4-[3-(1H-isoindol-5-yl)-2-pyridinyl]-N,N,2-trimethylaniline

C125H99F8N17O3 — CID 157131566

IUPAC2-fluoro-5-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzamide;2-fluoro-5-[3-(1H-isoindol-5-yl)-2-pyridinyl]-N,N-dimethylbenzamide;2-fluoro-5-[3-(1H-isoindol-5-yl)-2-pyridinyl]-N-propylbenzamide;5-[2-(2-fluorophenyl)-3-pyridinyl]-2-methanimidoylaniline;5-[2-[4-fluoro-3-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-isoindole;4-[3-(1H-isoindol-5-yl)-2-pyridinyl]-N,N,2-trimethylaniline
SMILESCCCNC(=O)c1cc(-c2ncccc2-c2ccc3c(c2)C=NC3)ccc1F.CN(C)C(=O)c1cc(-c2ncccc2-c2ccc3c(c2)C=NC3)ccc1F.Cc1cc(-c2ncccc2-c2ccc3c(c2)C=NC3)ccc1N(C)C.Fc1ccc(-c2ncccc2-c2ccc3c(c2)C=NC3)cc1C(F)(F)F.NC(=O)c1cc(-c2ncccc2-c2ccc3c(c2)C=NC3)ccc1F.[H]/N=C/c1ccc(-c2cccnc2-c2ccccc2F)cc1N
InChIInChI=1S/C23H20FN3O.C22H18FN3O.C22H21N3.C20H12F4N2.C20H14FN3O.C18H14FN3/c1-2-9-27-23(28)20-12-16(7-8-21(20)24)22-19(4-3-10-26-22)15-5-6-17-13-25-14-18(17)11-15;1-26(2)22(27)19-11-15(7-8-20(19)23)21-18(4-3-9-25-21)14-5-6-16-12-24-13-17(16)10-14;1-15-11-17(8-9-21(15)25(2)3)22-20(5-4-10-24-22)16-6-7-18-13-23-14-19(18)12-16;21-18-6-5-13(9-17(18)20(22,23)24)19-16(2-1-7-26-19)12-3-4-14-10-25-11-15(14)8-12;21-18-6-5-13(9-17(18)20(22)25)19-16(2-1-7-24-19)12-3-4-14-10-23-11-15(14)8-12;19-16-6-2-1-4-15(16)18-14(5-3-9-22-18)12-7-8-13(11-20)17(21)10-12/h3-8,10-12,14H,2,9,13H2,1H3,(H,27,28);3-11,13H,12H2,1-2H3;4-12,14H,13H2,1-3H3;1-9,11H,10H2;1-9,11H,10H2,(H2,22,25);1-11,20H,21H2/b;;;;;20-11+
InChIKeyAJDGKKFKHSQAFS-MRXBJYLFSA-N
MW2039.27 g/mol
LogP26.77
Rot. Bonds19

About 2-fluoro-5-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzamide;2-fluoro-5-[3-(1H-isoindol-5-yl)-2-pyridinyl]-N,N-dimethylbenzamide;2-fluoro-5-[3-(1H-isoindol-5-yl)-2-pyridinyl]-N-propylbenzamide;5-[2-(2-fluorophenyl)-3-pyridinyl]-2-methanimidoylaniline;5-[2-[4-fluoro-3-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-isoindole;4-[3-(1H-isoindol-5-yl)-2-pyridinyl]-N,N,2-trimethylaniline

2-fluoro-5-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzamide;2-fluoro-5-[3-(1H-isoindol-5-yl)-2-pyridinyl]-N,N-dimethylbenzamide;2-fluoro-5-[3-(1H-isoindol-5-yl)-2-pyridinyl]-N-propylbenzamide;5-[2-(2-fluorophenyl)-3-pyridinyl]-2-methanimidoylaniline;5-[2-[4-fluoro-3-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-isoindole;4-[3-(1H-isoindol-5-yl)-2-pyridinyl]-N,N,2-trimethylaniline (PubChem CID 157131566) has the molecular formula C125H99F8N17O3 and a molecular weight of 2039.27 g/mol. Its IUPAC name is 2-fluoro-5-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzamide;2-fluoro-5-[3-(1H-isoindol-5-yl)-2-pyridinyl]-N,N-dimethylbenzamide;2-fluoro-5-[3-(1H-isoindol-5-yl)-2-pyridinyl]-N-propylbenzamide;5-[2-(2-fluorophenyl)-3-pyridinyl]-2-methanimidoylaniline;5-[2-[4-fluoro-3-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-isoindole;4-[3-(1H-isoindol-5-yl)-2-pyridinyl]-N,N,2-trimethylaniline.

Molecular Properties

Compound Name2-fluoro-5-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzamide;2-fluoro-5-[3-(1H-isoindol-5-yl)-2-pyridinyl]-N,N-dimethylbenzamide;2-fluoro-5-[3-(1H-isoindol-5-yl)-2-pyridinyl]-N-propylbenzamide;5-[2-(2-fluorophenyl)-3-pyridinyl]-2-methanimidoylaniline;5-[2-[4-fluoro-3-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-isoindole;4-[3-(1H-isoindol-5-yl)-2-pyridinyl]-N,N,2-trimethylaniline
PubChem CID157131566
Molecular FormulaC125H99F8N17O3
Molecular Weight2039.27 g/mol
Exact Mass2037.80
IUPAC Name2-fluoro-5-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzamide;2-fluoro-5-[3-(1H-isoindol-5-yl)-2-pyridinyl]-N,N-dimethylbenzamide;2-fluoro-5-[3-(1H-isoindol-5-yl)-2-pyridinyl]-N-propylbenzamide;5-[2-(2-fluorophenyl)-3-pyridinyl]-2-methanimidoylaniline;5-[2-[4-fluoro-3-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-isoindole;4-[3-(1H-isoindol-5-yl)-2-pyridinyl]-N,N,2-trimethylaniline
SMILESCCCNC(=O)c1cc(-c2ncccc2-c2ccc3c(c2)C=NC3)ccc1F.CN(C)C(=O)c1cc(-c2ncccc2-c2ccc3c(c2)C=NC3)ccc1F.Cc1cc(-c2ncccc2-c2ccc3c(c2)C=NC3)ccc1N(C)C.Fc1ccc(-c2ncccc2-c2ccc3c(c2)C=NC3)cc1C(F)(F)F.NC(=O)c1cc(-c2ncccc2-c2ccc3c(c2)C=NC3)ccc1F.[H]/N=C/c1ccc(-c2cccnc2-c2ccccc2F)cc1N
InChIInChI=1S/C23H20FN3O.C22H18FN3O.C22H21N3.C20H12F4N2.C20H14FN3O.C18H14FN3/c1-2-9-27-23(28)20-12-16(7-8-21(20)24)22-19(4-3-10-26-22)15-5-6-17-13-25-14-18(17)11-15;1-26(2)22(27)19-11-15(7-8-20(19)23)21-18(4-3-9-25-21)14-5-6-16-12-24-13-17(16)10-14;1-15-11-17(8-9-21(15)25(2)3)22-20(5-4-10-24-22)16-6-7-18-13-23-14-19(18)12-16;21-18-6-5-13(9-17(18)20(22,23)24)19-16(2-1-7-26-19)12-3-4-14-10-25-11-15(14)8-12;21-18-6-5-13(9-17(18)20(22)25)19-16(2-1-7-24-19)12-3-4-14-10-23-11-15(14)8-12;19-16-6-2-1-4-15(16)18-14(5-3-9-22-18)12-7-8-13(11-20)17(21)10-12/h3-8,10-12,14H,2,9,13H2,1H3,(H,27,28);3-11,13H,12H2,1-2H3;4-12,14H,13H2,1-3H3;1-9,11H,10H2;1-9,11H,10H2,(H2,22,25);1-11,20H,21H2/b;;;;;20-11+
InChIKeyAJDGKKFKHSQAFS-MRXBJYLFSA-N
XLogP26.77
TPSA284.75 Ų
H-Bond Donors4
H-Bond Acceptors17
Rotatable Bonds19
Heavy Atoms153
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002039.27
LogP ≤ 526.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze 2-fluoro-5-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzamide;2-fluoro-5-[3-(1H-isoindol-5-yl)-2-pyridinyl]-N,N-dimethylbenzamide;2-fluoro-5-[3-(1H-isoindol-5-yl)-2-pyridinyl]-N-propylbenzamide;5-[2-(2-fluorophenyl)-3-pyridinyl]-2-methanimidoylaniline;5-[2-[4-fluoro-3-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-isoindole;4-[3-(1H-isoindol-5-yl)-2-pyridinyl]-N,N,2-trimethylaniline with MolForge

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Related Compounds

4-[2-methyl-4-(2-oxo-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl)phenyl]-N-(1-methylpiperidin-4-yl)benzamide
CID 53308042
N-(1-Methylpiperidin-4-yl)-4'-(2-oxo-9-(quinolin-3-yl)benzo[h][1,6]naphthyridin-1(2H)-yl)-2'-(trifluoromethyl)-[1,1'-biphenyl]-4-carboxamide
CID 53308041
N-methyl-4-[4-(2-oxo-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl)-2-(trifluoromethyl)phenyl]benzamide
CID 56673417
4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[(3-pyridin-3-ylbenzoyl)amino]benzamide
CID 137634751
4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(3-pyridin-2-ylbenzoyl)amino]phenyl]-3-(trifluoromethyl)benzamide
CID 137656806
5-methyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carboxamide
CID 44177611
5-acetyl-N-(1-(pyridin-3-ylmethyl)piperidin-4-yl)-2-(4-(trifluoromethyl)benzyl)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole-8-carboxamide
CID 44177714
3-N-methyl-3-N-(2-piperazin-1-ylethyl)-1-[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]pyridin-2-yl]phenyl]cyclohexa-3,5-diene-1,3-dicarboxamide
CID 66587421
1-(1-piperidin-1-ylbutyl)-4-[(2-pyridin-2-ylbenzoyl)amino]-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide
CID 67652410
1-butyl-2-piperidin-1-yl-4-[(2-pyridin-2-ylbenzoyl)amino]-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide
CID 67652413
4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-(6-pyridin-2-yl-3-pyridinyl)benzamide
CID 70992703
3-[6-(2-aminophenyl)-3-pyridinyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide
CID 89167954

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzamide;2-fluoro-5-[3-(1H-isoindol-5-yl)-2-pyridinyl]-N,N-dimethylbenzamide;2-fluoro-5-[3-(1H-isoindol-5-yl)-2-pyridinyl]-N-propylbenzamide;5-[2-(2-fluorophenyl)-3-pyridinyl]-2-methanimidoylaniline;5-[2-[4-fluoro-3-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-isoindole;4-[3-(1H-isoindol-5-yl)-2-pyridinyl]-N,N,2-trimethylaniline?
The IUPAC name of 2-fluoro-5-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzamide;2-fluoro-5-[3-(1H-isoindol-5-yl)-2-pyridinyl]-N,N-dimethylbenzamide;2-fluoro-5-[3-(1H-isoindol-5-yl)-2-pyridinyl]-N-propylbenzamide;5-[2-(2-fluorophenyl)-3-pyridinyl]-2-methanimidoylaniline;5-[2-[4-fluoro-3-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-isoindole;4-[3-(1H-isoindol-5-yl)-2-pyridinyl]-N,N,2-trimethylaniline (CID 157131566) is 2-fluoro-5-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzamide;2-fluoro-5-[3-(1H-isoindol-5-yl)-2-pyridinyl]-N,N-dimethylbenzamide;2-fluoro-5-[3-(1H-isoindol-5-yl)-2-pyridinyl]-N-propylbenzamide;5-[2-(2-fluorophenyl)-3-pyridinyl]-2-methanimidoylaniline;5-[2-[4-fluoro-3-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-isoindole;4-[3-(1H-isoindol-5-yl)-2-pyridinyl]-N,N,2-trimethylaniline.
What is the SMILES notation for 2-fluoro-5-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzamide;2-fluoro-5-[3-(1H-isoindol-5-yl)-2-pyridinyl]-N,N-dimethylbenzamide;2-fluoro-5-[3-(1H-isoindol-5-yl)-2-pyridinyl]-N-propylbenzamide;5-[2-(2-fluorophenyl)-3-pyridinyl]-2-methanimidoylaniline;5-[2-[4-fluoro-3-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-isoindole;4-[3-(1H-isoindol-5-yl)-2-pyridinyl]-N,N,2-trimethylaniline?
The canonical SMILES for 2-fluoro-5-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzamide;2-fluoro-5-[3-(1H-isoindol-5-yl)-2-pyridinyl]-N,N-dimethylbenzamide;2-fluoro-5-[3-(1H-isoindol-5-yl)-2-pyridinyl]-N-propylbenzamide;5-[2-(2-fluorophenyl)-3-pyridinyl]-2-methanimidoylaniline;5-[2-[4-fluoro-3-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-isoindole;4-[3-(1H-isoindol-5-yl)-2-pyridinyl]-N,N,2-trimethylaniline is CCCNC(=O)c1cc(-c2ncccc2-c2ccc3c(c2)C=NC3)ccc1F.CN(C)C(=O)c1cc(-c2ncccc2-c2ccc3c(c2)C=NC3)ccc1F.Cc1cc(-c2ncccc2-c2ccc3c(c2)C=NC3)ccc1N(C)C.Fc1ccc(-c2ncccc2-c2ccc3c(c2)C=NC3)cc1C(F)(F)F.NC(=O)c1cc(-c2ncccc2-c2ccc3c(c2)C=NC3)ccc1F.[H]/N=C/c1ccc(-c2cccnc2-c2ccccc2F)cc1N.
What is the InChIKey of 2-fluoro-5-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzamide;2-fluoro-5-[3-(1H-isoindol-5-yl)-2-pyridinyl]-N,N-dimethylbenzamide;2-fluoro-5-[3-(1H-isoindol-5-yl)-2-pyridinyl]-N-propylbenzamide;5-[2-(2-fluorophenyl)-3-pyridinyl]-2-methanimidoylaniline;5-[2-[4-fluoro-3-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-isoindole;4-[3-(1H-isoindol-5-yl)-2-pyridinyl]-N,N,2-trimethylaniline?
The InChIKey is AJDGKKFKHSQAFS-MRXBJYLFSA-N. The full InChI is InChI=1S/C23H20FN3O.C22H18FN3O.C22H21N3.C20H12F4N2.C20H14FN3O.C18H14FN3/c1-2-9-27-23(28)20-12-16(7-8-21(20)24)22-19(4-3-10-26-22)15-5-6-17-13-25-14-18(17)11-15;1-26(2)22(27)19-11-15(7-8-20(19)23)21-18(4-3-9-25-21)14-5-6-16-12-24-13-17(16)10-14;1-15-11-17(8-9-21(15)25(2)3)22-20(5-4-10-24-22)16-6-7-18-13-23-14-19(18)12-16;21-18-6-5-13(9-17(18)20(22,23)24)19-16(2-1-7-26-19)12-3-4-14-10-25-11-15(14)8-12;21-18-6-5-13(9-17(18)20(22)25)19-16(2-1-7-24-19)12-3-4-14-10-23-11-15(14)8-12;19-16-6-2-1-4-15(16)18-14(5-3-9-22-18)12-7-8-13(11-20)17(21)10-12/h3-8,10-12,14H,2,9,13H2,1H3,(H,27,28);3-11,13H,12H2,1-2H3;4-12,14H,13H2,1-3H3;1-9,11H,10H2;1-9,11H,10H2,(H2,22,25);1-11,20H,21H2/b;;;;;20-11+.
What are the key properties of 2-fluoro-5-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzamide;2-fluoro-5-[3-(1H-isoindol-5-yl)-2-pyridinyl]-N,N-dimethylbenzamide;2-fluoro-5-[3-(1H-isoindol-5-yl)-2-pyridinyl]-N-propylbenzamide;5-[2-(2-fluorophenyl)-3-pyridinyl]-2-methanimidoylaniline;5-[2-[4-fluoro-3-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-isoindole;4-[3-(1H-isoindol-5-yl)-2-pyridinyl]-N,N,2-trimethylaniline?
2-fluoro-5-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzamide;2-fluoro-5-[3-(1H-isoindol-5-yl)-2-pyridinyl]-N,N-dimethylbenzamide;2-fluoro-5-[3-(1H-isoindol-5-yl)-2-pyridinyl]-N-propylbenzamide;5-[2-(2-fluorophenyl)-3-pyridinyl]-2-methanimidoylaniline;5-[2-[4-fluoro-3-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-isoindole;4-[3-(1H-isoindol-5-yl)-2-pyridinyl]-N,N,2-trimethylaniline has a molecular weight of 2039.27 g/mol, XLogP of 26.77, 19 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzamide;2-fluoro-5-[3-(1H-isoindol-5-yl)-2-pyridinyl]-N,N-dimethylbenzamide;2-fluoro-5-[3-(1H-isoindol-5-yl)-2-pyridinyl]-N-propylbenzamide;5-[2-(2-fluorophenyl)-3-pyridinyl]-2-methanimidoylaniline;5-[2-[4-fluoro-3-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-isoindole;4-[3-(1H-isoindol-5-yl)-2-pyridinyl]-N,N,2-trimethylaniline is sourced from PubChem (CID 157131566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).