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-[4-fluoro-3-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-isoindole;[3-[3-(1H-isoindol-5-yl)-2-pyridinyl]phenyl]methanol;4-[3-(1H-isoindol-5-yl)-2-pyridinyl]-N,N,2-trimethylaniline

C127H101F7N16O4 — CID 161025411

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-[4-fluoro-3-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-isoindole;[3-[3-(1H-isoindol-5-yl)-2-pyridinyl]phenyl]methanol;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.OCc1cccc(-c2ncccc2-c2ccc3c(c2)C=NC3)c1
InChIInChI=1S/C23H20FN3O.C22H18FN3O.C22H21N3.C20H12F4N2.C20H14FN3O.C20H16N2O/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;23-13-14-3-1-4-16(9-14)20-19(5-2-8-22-20)15-6-7-17-11-21-12-18(17)10-15/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);1-10,12,23H,11,13H2
InChIKeyTYXIWYKBARNOKB-UHFFFAOYSA-N
MW2048.30 g/mol
LogP26.47
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-[4-fluoro-3-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-isoindole;[3-[3-(1H-isoindol-5-yl)-2-pyridinyl]phenyl]methanol;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-[4-fluoro-3-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-isoindole;[3-[3-(1H-isoindol-5-yl)-2-pyridinyl]phenyl]methanol;4-[3-(1H-isoindol-5-yl)-2-pyridinyl]-N,N,2-trimethylaniline (PubChem CID 161025411) has the molecular formula C127H101F7N16O4 and a molecular weight of 2048.30 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-[4-fluoro-3-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-isoindole;[3-[3-(1H-isoindol-5-yl)-2-pyridinyl]phenyl]methanol;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-[4-fluoro-3-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-isoindole;[3-[3-(1H-isoindol-5-yl)-2-pyridinyl]phenyl]methanol;4-[3-(1H-isoindol-5-yl)-2-pyridinyl]-N,N,2-trimethylaniline
PubChem CID161025411
Molecular FormulaC127H101F7N16O4
Molecular Weight2048.30 g/mol
Exact Mass2046.81
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-[4-fluoro-3-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-isoindole;[3-[3-(1H-isoindol-5-yl)-2-pyridinyl]phenyl]methanol;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.OCc1cccc(-c2ncccc2-c2ccc3c(c2)C=NC3)c1
InChIInChI=1S/C23H20FN3O.C22H18FN3O.C22H21N3.C20H12F4N2.C20H14FN3O.C20H16N2O/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;23-13-14-3-1-4-16(9-14)20-19(5-2-8-22-20)15-6-7-17-11-21-12-18(17)10-15/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);1-10,12,23H,11,13H2
InChIKeyTYXIWYKBARNOKB-UHFFFAOYSA-N
XLogP26.47
TPSA267.47 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds19
Heavy Atoms154
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002048.30
LogP ≤ 526.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1017

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-[4-fluoro-3-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-isoindole;[3-[3-(1H-isoindol-5-yl)-2-pyridinyl]phenyl]methanol;4-[3-(1H-isoindol-5-yl)-2-pyridinyl]-N,N,2-trimethylaniline with MolForge

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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-[4-fluoro-3-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-isoindole;[3-[3-(1H-isoindol-5-yl)-2-pyridinyl]phenyl]methanol;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-[4-fluoro-3-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-isoindole;[3-[3-(1H-isoindol-5-yl)-2-pyridinyl]phenyl]methanol;4-[3-(1H-isoindol-5-yl)-2-pyridinyl]-N,N,2-trimethylaniline (CID 161025411) 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-[4-fluoro-3-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-isoindole;[3-[3-(1H-isoindol-5-yl)-2-pyridinyl]phenyl]methanol;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-[4-fluoro-3-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-isoindole;[3-[3-(1H-isoindol-5-yl)-2-pyridinyl]phenyl]methanol;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-[4-fluoro-3-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-isoindole;[3-[3-(1H-isoindol-5-yl)-2-pyridinyl]phenyl]methanol;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.OCc1cccc(-c2ncccc2-c2ccc3c(c2)C=NC3)c1.
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-[4-fluoro-3-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-isoindole;[3-[3-(1H-isoindol-5-yl)-2-pyridinyl]phenyl]methanol;4-[3-(1H-isoindol-5-yl)-2-pyridinyl]-N,N,2-trimethylaniline?
The InChIKey is TYXIWYKBARNOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O.C22H18FN3O.C22H21N3.C20H12F4N2.C20H14FN3O.C20H16N2O/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;23-13-14-3-1-4-16(9-14)20-19(5-2-8-22-20)15-6-7-17-11-21-12-18(17)10-15/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);1-10,12,23H,11,13H2.
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-[4-fluoro-3-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-isoindole;[3-[3-(1H-isoindol-5-yl)-2-pyridinyl]phenyl]methanol;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-[4-fluoro-3-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-isoindole;[3-[3-(1H-isoindol-5-yl)-2-pyridinyl]phenyl]methanol;4-[3-(1H-isoindol-5-yl)-2-pyridinyl]-N,N,2-trimethylaniline has a molecular weight of 2048.30 g/mol, XLogP of 26.47, 19 rotatable bonds, 3 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-[4-fluoro-3-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-isoindole;[3-[3-(1H-isoindol-5-yl)-2-pyridinyl]phenyl]methanol;4-[3-(1H-isoindol-5-yl)-2-pyridinyl]-N,N,2-trimethylaniline is sourced from PubChem (CID 161025411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).