5-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1H-isoindole;5-[2-(3-ethylphenyl)-3-pyridinyl]-1H-isoindole;4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-methanimidoyl-N-methylaniline;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methyl-1H-isoindole;1-methyl-5-[2-(3-methylphenyl)-3-pyridinyl]indazole;3-methyl-5-[2-(3-methylphenyl)-3-pyridinyl]-1H-isoindole;3-[3-(1H-pyrazolo[4,5-b]pyridin-6-yl)-2-pyridinyl]phenol

C142H118F2N18O — CID 158440362

IUPAC5-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1H-isoindole;5-[2-(3-ethylphenyl)-3-pyridinyl]-1H-isoindole;4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-methanimidoyl-N-methylaniline;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methyl-1H-isoindole;1-methyl-5-[2-(3-methylphenyl)-3-pyridinyl]indazole;3-methyl-5-[2-(3-methylphenyl)-3-pyridinyl]-1H-isoindole;3-[3-(1H-pyrazolo[4,5-b]pyridin-6-yl)-2-pyridinyl]phenol
SMILESC1=NCc2ccc(-c3cccnc3-c3cccc(C4CC4)c3)cc21.CC1=NCc2ccc(-c3cccnc3-c3ccc(F)c(C)c3)cc21.CC1=NCc2ccc(-c3cccnc3-c3cccc(C)c3)cc21.CCc1cccc(-c2ncccc2-c2ccc3c(c2)C=NC3)c1.Cc1cccc(-c2ncccc2-c2ccc3c(cnn3C)c2)c1.Oc1cccc(-c2ncccc2-c2cnc3cn[nH]c3c2)c1.[H]/N=C/c1cc(-c2cccnc2-c2ccc(F)c(C)c2)ccc1NC
InChIInChI=1S/C22H18N2.C21H17FN2.2C21H18N2.C20H18FN3.C20H17N3.C17H12N4O/c1-3-16(15-6-7-15)11-18(4-1)22-21(5-2-10-24-22)17-8-9-19-13-23-14-20(19)12-17;1-13-10-16(7-8-20(13)22)21-18(4-3-9-23-21)15-5-6-17-12-24-14(2)19(17)11-15;1-14-5-3-6-17(11-14)21-19(7-4-10-22-21)16-8-9-18-13-23-15(2)20(18)12-16;1-2-15-5-3-6-17(11-15)21-20(7-4-10-23-21)16-8-9-18-13-22-14-19(18)12-16;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;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/h1-5,8-12,14-15H,6-7,13H2;3-11H,12H2,1-2H3;3-12H,13H2,1-2H3;3-12,14H,2,13H2,1H3;3-12,22-23H,1-2H3;3-13H,1-2H3;1-10,22H,(H,20,21)/b;;;;22-12+;;
InChIKeyHCSWYYXHTFNGBG-XDRFMCOVSA-N
MW2130.63 g/mol
LogP33.27
Rot. Bonds18

About 5-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1H-isoindole;5-[2-(3-ethylphenyl)-3-pyridinyl]-1H-isoindole;4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-methanimidoyl-N-methylaniline;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methyl-1H-isoindole;1-methyl-5-[2-(3-methylphenyl)-3-pyridinyl]indazole;3-methyl-5-[2-(3-methylphenyl)-3-pyridinyl]-1H-isoindole;3-[3-(1H-pyrazolo[4,5-b]pyridin-6-yl)-2-pyridinyl]phenol

5-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1H-isoindole;5-[2-(3-ethylphenyl)-3-pyridinyl]-1H-isoindole;4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-methanimidoyl-N-methylaniline;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methyl-1H-isoindole;1-methyl-5-[2-(3-methylphenyl)-3-pyridinyl]indazole;3-methyl-5-[2-(3-methylphenyl)-3-pyridinyl]-1H-isoindole;3-[3-(1H-pyrazolo[4,5-b]pyridin-6-yl)-2-pyridinyl]phenol (PubChem CID 158440362) has the molecular formula C142H118F2N18O and a molecular weight of 2130.63 g/mol. Its IUPAC name is 5-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1H-isoindole;5-[2-(3-ethylphenyl)-3-pyridinyl]-1H-isoindole;4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-methanimidoyl-N-methylaniline;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methyl-1H-isoindole;1-methyl-5-[2-(3-methylphenyl)-3-pyridinyl]indazole;3-methyl-5-[2-(3-methylphenyl)-3-pyridinyl]-1H-isoindole;3-[3-(1H-pyrazolo[4,5-b]pyridin-6-yl)-2-pyridinyl]phenol.

Molecular Properties

Compound Name5-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1H-isoindole;5-[2-(3-ethylphenyl)-3-pyridinyl]-1H-isoindole;4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-methanimidoyl-N-methylaniline;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methyl-1H-isoindole;1-methyl-5-[2-(3-methylphenyl)-3-pyridinyl]indazole;3-methyl-5-[2-(3-methylphenyl)-3-pyridinyl]-1H-isoindole;3-[3-(1H-pyrazolo[4,5-b]pyridin-6-yl)-2-pyridinyl]phenol
PubChem CID158440362
Molecular FormulaC142H118F2N18O
Molecular Weight2130.63 g/mol
Exact Mass2128.97
IUPAC Name5-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1H-isoindole;5-[2-(3-ethylphenyl)-3-pyridinyl]-1H-isoindole;4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-methanimidoyl-N-methylaniline;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methyl-1H-isoindole;1-methyl-5-[2-(3-methylphenyl)-3-pyridinyl]indazole;3-methyl-5-[2-(3-methylphenyl)-3-pyridinyl]-1H-isoindole;3-[3-(1H-pyrazolo[4,5-b]pyridin-6-yl)-2-pyridinyl]phenol
SMILESC1=NCc2ccc(-c3cccnc3-c3cccc(C4CC4)c3)cc21.CC1=NCc2ccc(-c3cccnc3-c3ccc(F)c(C)c3)cc21.CC1=NCc2ccc(-c3cccnc3-c3cccc(C)c3)cc21.CCc1cccc(-c2ncccc2-c2ccc3c(c2)C=NC3)c1.Cc1cccc(-c2ncccc2-c2ccc3c(cnn3C)c2)c1.Oc1cccc(-c2ncccc2-c2cnc3cn[nH]c3c2)c1.[H]/N=C/c1cc(-c2cccnc2-c2ccc(F)c(C)c2)ccc1NC
InChIInChI=1S/C22H18N2.C21H17FN2.2C21H18N2.C20H18FN3.C20H17N3.C17H12N4O/c1-3-16(15-6-7-15)11-18(4-1)22-21(5-2-10-24-22)17-8-9-19-13-23-14-20(19)12-17;1-13-10-16(7-8-20(13)22)21-18(4-3-9-23-21)15-5-6-17-12-24-14(2)19(17)11-15;1-14-5-3-6-17(11-14)21-19(7-4-10-22-21)16-8-9-18-13-23-15(2)20(18)12-16;1-2-15-5-3-6-17(11-15)21-20(7-4-10-23-21)16-8-9-18-13-22-14-19(18)12-16;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;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/h1-5,8-12,14-15H,6-7,13H2;3-11H,12H2,1-2H3;3-12H,13H2,1-2H3;3-12,14H,2,13H2,1H3;3-12,22-23H,1-2H3;3-13H,1-2H3;1-10,22H,(H,20,21)/b;;;;22-12+;;
InChIKeyHCSWYYXHTFNGBG-XDRFMCOVSA-N
XLogP33.27
TPSA255.17 Ų
H-Bond Donors4
H-Bond Acceptors18
Rotatable Bonds18
Heavy Atoms163
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002130.63
LogP ≤ 533.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze 5-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1H-isoindole;5-[2-(3-ethylphenyl)-3-pyridinyl]-1H-isoindole;4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-methanimidoyl-N-methylaniline;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methyl-1H-isoindole;1-methyl-5-[2-(3-methylphenyl)-3-pyridinyl]indazole;3-methyl-5-[2-(3-methylphenyl)-3-pyridinyl]-1H-isoindole;3-[3-(1H-pyrazolo[4,5-b]pyridin-6-yl)-2-pyridinyl]phenol with MolForge

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Related Compounds

2-[5-[[(2R)-2-amino-3-(1H-indol-3-yl)propyl]amino]-3-(3-methyl-2H-indazol-5-yl)-2-pyridinyl]-4-fluorophenol
CID 136394373
2-[5-[[(2S)-2-amino-3-(1H-indol-3-yl)propyl]amino]-3-(3-methyl-2H-indazol-5-yl)-2-pyridinyl]-4-fluorophenol
CID 136394374
3-fluoro-5-[6-methyl-2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-6,7-dihydro-1H-indol-4-yl]phenol
CID 137033039
3-fluoro-5-[2-[5-[(2E,4E)-5-(piperidin-1-ylmethyl)hepta-2,4,6-trien-3-yl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]phenol
CID 137033718
3-[2-[5-[(2E,4E)-5-[(cyclopentylmethylamino)methyl]hepta-2,4,6-trien-3-yl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]-5-fluorophenol
CID 137033941
3-fluoro-5-[2-(5-piperidin-4-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol
CID 137033948
3-fluoro-5-[2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol
CID 137034007
3-fluoro-5-[2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol
CID 137034017
3-[2-[5-[5-(dimethylamino)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]-5-fluorophenol
CID 137034018
N-[5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 137034020
3-fluoro-5-[2-[6-methyl-5-(3-methylphenyl)-1H-indazol-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol
CID 137034026
3-fluoro-5-[2-[5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]phenol
CID 137037954

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1H-isoindole;5-[2-(3-ethylphenyl)-3-pyridinyl]-1H-isoindole;4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-methanimidoyl-N-methylaniline;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methyl-1H-isoindole;1-methyl-5-[2-(3-methylphenyl)-3-pyridinyl]indazole;3-methyl-5-[2-(3-methylphenyl)-3-pyridinyl]-1H-isoindole;3-[3-(1H-pyrazolo[4,5-b]pyridin-6-yl)-2-pyridinyl]phenol?
The IUPAC name of 5-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1H-isoindole;5-[2-(3-ethylphenyl)-3-pyridinyl]-1H-isoindole;4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-methanimidoyl-N-methylaniline;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methyl-1H-isoindole;1-methyl-5-[2-(3-methylphenyl)-3-pyridinyl]indazole;3-methyl-5-[2-(3-methylphenyl)-3-pyridinyl]-1H-isoindole;3-[3-(1H-pyrazolo[4,5-b]pyridin-6-yl)-2-pyridinyl]phenol (CID 158440362) is 5-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1H-isoindole;5-[2-(3-ethylphenyl)-3-pyridinyl]-1H-isoindole;4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-methanimidoyl-N-methylaniline;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methyl-1H-isoindole;1-methyl-5-[2-(3-methylphenyl)-3-pyridinyl]indazole;3-methyl-5-[2-(3-methylphenyl)-3-pyridinyl]-1H-isoindole;3-[3-(1H-pyrazolo[4,5-b]pyridin-6-yl)-2-pyridinyl]phenol.
What is the SMILES notation for 5-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1H-isoindole;5-[2-(3-ethylphenyl)-3-pyridinyl]-1H-isoindole;4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-methanimidoyl-N-methylaniline;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methyl-1H-isoindole;1-methyl-5-[2-(3-methylphenyl)-3-pyridinyl]indazole;3-methyl-5-[2-(3-methylphenyl)-3-pyridinyl]-1H-isoindole;3-[3-(1H-pyrazolo[4,5-b]pyridin-6-yl)-2-pyridinyl]phenol?
The canonical SMILES for 5-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1H-isoindole;5-[2-(3-ethylphenyl)-3-pyridinyl]-1H-isoindole;4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-methanimidoyl-N-methylaniline;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methyl-1H-isoindole;1-methyl-5-[2-(3-methylphenyl)-3-pyridinyl]indazole;3-methyl-5-[2-(3-methylphenyl)-3-pyridinyl]-1H-isoindole;3-[3-(1H-pyrazolo[4,5-b]pyridin-6-yl)-2-pyridinyl]phenol is C1=NCc2ccc(-c3cccnc3-c3cccc(C4CC4)c3)cc21.CC1=NCc2ccc(-c3cccnc3-c3ccc(F)c(C)c3)cc21.CC1=NCc2ccc(-c3cccnc3-c3cccc(C)c3)cc21.CCc1cccc(-c2ncccc2-c2ccc3c(c2)C=NC3)c1.Cc1cccc(-c2ncccc2-c2ccc3c(cnn3C)c2)c1.Oc1cccc(-c2ncccc2-c2cnc3cn[nH]c3c2)c1.[H]/N=C/c1cc(-c2cccnc2-c2ccc(F)c(C)c2)ccc1NC.
What is the InChIKey of 5-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1H-isoindole;5-[2-(3-ethylphenyl)-3-pyridinyl]-1H-isoindole;4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-methanimidoyl-N-methylaniline;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methyl-1H-isoindole;1-methyl-5-[2-(3-methylphenyl)-3-pyridinyl]indazole;3-methyl-5-[2-(3-methylphenyl)-3-pyridinyl]-1H-isoindole;3-[3-(1H-pyrazolo[4,5-b]pyridin-6-yl)-2-pyridinyl]phenol?
The InChIKey is HCSWYYXHTFNGBG-XDRFMCOVSA-N. The full InChI is InChI=1S/C22H18N2.C21H17FN2.2C21H18N2.C20H18FN3.C20H17N3.C17H12N4O/c1-3-16(15-6-7-15)11-18(4-1)22-21(5-2-10-24-22)17-8-9-19-13-23-14-20(19)12-17;1-13-10-16(7-8-20(13)22)21-18(4-3-9-23-21)15-5-6-17-12-24-14(2)19(17)11-15;1-14-5-3-6-17(11-14)21-19(7-4-10-22-21)16-8-9-18-13-23-15(2)20(18)12-16;1-2-15-5-3-6-17(11-15)21-20(7-4-10-23-21)16-8-9-18-13-22-14-19(18)12-16;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;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/h1-5,8-12,14-15H,6-7,13H2;3-11H,12H2,1-2H3;3-12H,13H2,1-2H3;3-12,14H,2,13H2,1H3;3-12,22-23H,1-2H3;3-13H,1-2H3;1-10,22H,(H,20,21)/b;;;;22-12+;;.
What are the key properties of 5-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1H-isoindole;5-[2-(3-ethylphenyl)-3-pyridinyl]-1H-isoindole;4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-methanimidoyl-N-methylaniline;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methyl-1H-isoindole;1-methyl-5-[2-(3-methylphenyl)-3-pyridinyl]indazole;3-methyl-5-[2-(3-methylphenyl)-3-pyridinyl]-1H-isoindole;3-[3-(1H-pyrazolo[4,5-b]pyridin-6-yl)-2-pyridinyl]phenol?
5-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1H-isoindole;5-[2-(3-ethylphenyl)-3-pyridinyl]-1H-isoindole;4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-methanimidoyl-N-methylaniline;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methyl-1H-isoindole;1-methyl-5-[2-(3-methylphenyl)-3-pyridinyl]indazole;3-methyl-5-[2-(3-methylphenyl)-3-pyridinyl]-1H-isoindole;3-[3-(1H-pyrazolo[4,5-b]pyridin-6-yl)-2-pyridinyl]phenol has a molecular weight of 2130.63 g/mol, XLogP of 33.27, 18 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1H-isoindole;5-[2-(3-ethylphenyl)-3-pyridinyl]-1H-isoindole;4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-methanimidoyl-N-methylaniline;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methyl-1H-isoindole;1-methyl-5-[2-(3-methylphenyl)-3-pyridinyl]indazole;3-methyl-5-[2-(3-methylphenyl)-3-pyridinyl]-1H-isoindole;3-[3-(1H-pyrazolo[4,5-b]pyridin-6-yl)-2-pyridinyl]phenol is sourced from PubChem (CID 158440362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).