4-[7-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-7-[[5-[(3S)-3-hydroxyoxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-[7-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-7-[[5-[(3R)-3-hydroxyoxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;7-[[5-[(3R)-3-[(dimethylamino)methyl]-3-methoxypiperidin-1-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one

C79H74F5N17O8 — CID 158609576

IUPAC4-[7-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-7-[[5-[(3S)-3-hydroxyoxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-[7-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-7-[[5-[(3R)-3-hydroxyoxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;7-[[5-[(3R)-3-[(dimethylamino)methyl]-3-methoxypiperidin-1-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one
SMILESCO[C@@]1(CN(C)C)CCCN(c2ccc(Nc3ccc(-c4cnc5cc(F)ccn45)c4c3C(=O)NC4)nc2)C1.O=C1NCc2c(-c3cnc4cc(C(F)F)ccn34)ccc(Nc3ccc([C@@]4(O)CCOC4)cn3)c21.O=C1NCc2c(-c3cnc4cc(C(F)F)ccn34)ccc(Nc3ccc([C@]4(O)CCOC4)cn3)c21
InChIInChI=1S/C29H32FN7O2.2C25H21F2N5O3/c1-35(2)17-29(39-3)10-4-11-36(18-29)20-5-8-25(31-14-20)34-23-7-6-21(22-15-33-28(38)27(22)23)24-16-32-26-13-19(30)9-12-37(24)26;2*26-23(27)14-5-7-32-19(12-29-21(32)9-14)16-2-3-18(22-17(16)11-30-24(22)33)31-20-4-1-15(10-28-20)25(34)6-8-35-13-25/h5-9,12-14,16H,4,10-11,15,17-18H2,1-3H3,(H,31,34)(H,33,38);2*1-5,7,9-10,12,23,34H,6,8,11,13H2,(H,28,31)(H,30,33)/t29-;2*25-/m110/s1
InChIKeyHWQWUDJIMRNKFY-RCWRDYBGSA-N
MW1484.56 g/mol
LogP11.93
Rot. Bonds17

About 4-[7-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-7-[[5-[(3S)-3-hydroxyoxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-[7-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-7-[[5-[(3R)-3-hydroxyoxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;7-[[5-[(3R)-3-[(dimethylamino)methyl]-3-methoxypiperidin-1-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one

4-[7-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-7-[[5-[(3S)-3-hydroxyoxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-[7-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-7-[[5-[(3R)-3-hydroxyoxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;7-[[5-[(3R)-3-[(dimethylamino)methyl]-3-methoxypiperidin-1-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one (PubChem CID 158609576) has the molecular formula C79H74F5N17O8 and a molecular weight of 1484.56 g/mol. Its IUPAC name is 4-[7-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-7-[[5-[(3S)-3-hydroxyoxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-[7-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-7-[[5-[(3R)-3-hydroxyoxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;7-[[5-[(3R)-3-[(dimethylamino)methyl]-3-methoxypiperidin-1-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name4-[7-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-7-[[5-[(3S)-3-hydroxyoxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-[7-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-7-[[5-[(3R)-3-hydroxyoxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;7-[[5-[(3R)-3-[(dimethylamino)methyl]-3-methoxypiperidin-1-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one
PubChem CID158609576
Molecular FormulaC79H74F5N17O8
Molecular Weight1484.56 g/mol
Exact Mass1483.58
IUPAC Name4-[7-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-7-[[5-[(3S)-3-hydroxyoxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-[7-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-7-[[5-[(3R)-3-hydroxyoxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;7-[[5-[(3R)-3-[(dimethylamino)methyl]-3-methoxypiperidin-1-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one
SMILESCO[C@@]1(CN(C)C)CCCN(c2ccc(Nc3ccc(-c4cnc5cc(F)ccn45)c4c3C(=O)NC4)nc2)C1.O=C1NCc2c(-c3cnc4cc(C(F)F)ccn34)ccc(Nc3ccc([C@@]4(O)CCOC4)cn3)c21.O=C1NCc2c(-c3cnc4cc(C(F)F)ccn34)ccc(Nc3ccc([C@]4(O)CCOC4)cn3)c21
InChIInChI=1S/C29H32FN7O2.2C25H21F2N5O3/c1-35(2)17-29(39-3)10-4-11-36(18-29)20-5-8-25(31-14-20)34-23-7-6-21(22-15-33-28(38)27(22)23)24-16-32-26-13-19(30)9-12-37(24)26;2*26-23(27)14-5-7-32-19(12-29-21(32)9-14)16-2-3-18(22-17(16)11-30-24(22)33)31-20-4-1-15(10-28-20)25(34)6-8-35-13-25/h5-9,12-14,16H,4,10-11,15,17-18H2,1-3H3,(H,31,34)(H,33,38);2*1-5,7,9-10,12,23,34H,6,8,11,13H2,(H,28,31)(H,30,33)/t29-;2*25-/m110/s1
InChIKeyHWQWUDJIMRNKFY-RCWRDYBGSA-N
XLogP11.93
TPSA288.59 Ų
H-Bond Donors8
H-Bond Acceptors22
Rotatable Bonds17
Heavy Atoms109
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001484.56
LogP ≤ 511.93
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1022

Analyze 4-[7-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-7-[[5-[(3S)-3-hydroxyoxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-[7-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-7-[[5-[(3R)-3-hydroxyoxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;7-[[5-[(3R)-3-[(dimethylamino)methyl]-3-methoxypiperidin-1-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(7-fluoroimidazo [1,2-a]pyridin-3-yl)-7-((6-(((S)-3-hxdroxypyrroli din-1-yl)methyl)-5-((R)-tetrahydrofur-an-3-yl)pyridin-2-yl)amino)isoin-dolin-1-one
CID 156152759
(S)-4-(7-fluoroimidazo [1,2-a]pyridin-3-yl)-7-((5-(3-hydroxytetra-hydrofuran-3-yl)pyridin-2-yl)amino)isoin-dolin-1-one
CID 156153043
(R)-4-(7-fluoroimidazo [1,2-a]pyridin-3-yl)-7-((5-(3-hydroxytetra-hydrofuran-3-yl)pyridin-2-yl)amino)isoin-dolin-1-one
CID 156153047
4-(7-fluoroimidazo [1,2-a]pyridin-3-yl)-7-((6-(((S)-3-hydroxypyrroli-din-1-yl)methyl)-5-((S)-tetrahydrofuran-3-yl)pyridin-2-yl)amino)isoin-dolin-1-one
CID 156153176
4-[7-(difluoromethyl)-imidazo[1,2-a]pyridin-3-yl]-7-[[5-[(2S)-2-(1-hydroxy-1-methyl-ethyl)morpholin-4-yl]-2-pyridyl] amino]isoindolin-1-one
CID 156163050
4-(8-fluoro-7-methylimidazo [1,2-a]pyridin-3-yl)-7-((5-(4-hydroxytetra-hydro-2H-pyran-4-yl)pyridin-2-yl)amino)isoin-dolin-1-one
CID 156163244
(R)-4-(7-(difluoromethyl)-imidazo[1,2-a]pyridin-3-yl)-7-((5-(3-hydroxytetra-hydrofuran-3-yl)pyridin-2-yl)amino)isoin-dolin-1-one
CID 156163289
7-((5-(4-(2-(dimethylami-no)ethoxy)tetra-hydro-2H-pyran-4-yl)pyridin-2-yl)amino)-4-(7-fluoroimidazo [1,2-a]pyridin-3-yl)isoindolin-1-one
CID 156163354
(S)-7-((6-((dimethylamino)-methyl)-5-(2-(2-hydroxypropan-2-yl)morpho-lino)pyridin-2-yl)amino)-4-(7-fluoroimidazo [1,2-a]pyridin-3-yl)isoindolin-1-one
CID 156163501
4-(7-fluoroimidazo [1,2-a]pyridin-3-yl)-7-((5-(4-hydroxtetra-hydro-2H-pyran-4-yl)pyridin-2-yl)amino)isoin-dolin-1-one
CID 156163622
7-((6-((dimethylamino)-methyl)-5-(4-methoxytetra-hydro-2H-pyran-4-yl)pyridin-2-yl)amino)-4-(7-fluoroimidazo [1,2-a]pyridin-3-yl)isoindolin-1-one
CID 156163641
7-((4-((dimethylamino)-methyl)-5-(4-hydrowtetra-hydro-2H-pyran-4-yl)pyridin-2-yl)amino)-4-(7-fluoroimidazo [1,2-a]pyridin-3-yl)isoindolin-1-one
CID 156163868

Frequently Asked Questions

What is the IUPAC name of 4-[7-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-7-[[5-[(3S)-3-hydroxyoxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-[7-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-7-[[5-[(3R)-3-hydroxyoxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;7-[[5-[(3R)-3-[(dimethylamino)methyl]-3-methoxypiperidin-1-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one?
The IUPAC name of 4-[7-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-7-[[5-[(3S)-3-hydroxyoxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-[7-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-7-[[5-[(3R)-3-hydroxyoxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;7-[[5-[(3R)-3-[(dimethylamino)methyl]-3-methoxypiperidin-1-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one (CID 158609576) is 4-[7-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-7-[[5-[(3S)-3-hydroxyoxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-[7-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-7-[[5-[(3R)-3-hydroxyoxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;7-[[5-[(3R)-3-[(dimethylamino)methyl]-3-methoxypiperidin-1-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 4-[7-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-7-[[5-[(3S)-3-hydroxyoxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-[7-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-7-[[5-[(3R)-3-hydroxyoxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;7-[[5-[(3R)-3-[(dimethylamino)methyl]-3-methoxypiperidin-1-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one?
The canonical SMILES for 4-[7-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-7-[[5-[(3S)-3-hydroxyoxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-[7-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-7-[[5-[(3R)-3-hydroxyoxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;7-[[5-[(3R)-3-[(dimethylamino)methyl]-3-methoxypiperidin-1-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one is CO[C@@]1(CN(C)C)CCCN(c2ccc(Nc3ccc(-c4cnc5cc(F)ccn45)c4c3C(=O)NC4)nc2)C1.O=C1NCc2c(-c3cnc4cc(C(F)F)ccn34)ccc(Nc3ccc([C@@]4(O)CCOC4)cn3)c21.O=C1NCc2c(-c3cnc4cc(C(F)F)ccn34)ccc(Nc3ccc([C@]4(O)CCOC4)cn3)c21.
What is the InChIKey of 4-[7-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-7-[[5-[(3S)-3-hydroxyoxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-[7-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-7-[[5-[(3R)-3-hydroxyoxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;7-[[5-[(3R)-3-[(dimethylamino)methyl]-3-methoxypiperidin-1-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one?
The InChIKey is HWQWUDJIMRNKFY-RCWRDYBGSA-N. The full InChI is InChI=1S/C29H32FN7O2.2C25H21F2N5O3/c1-35(2)17-29(39-3)10-4-11-36(18-29)20-5-8-25(31-14-20)34-23-7-6-21(22-15-33-28(38)27(22)23)24-16-32-26-13-19(30)9-12-37(24)26;2*26-23(27)14-5-7-32-19(12-29-21(32)9-14)16-2-3-18(22-17(16)11-30-24(22)33)31-20-4-1-15(10-28-20)25(34)6-8-35-13-25/h5-9,12-14,16H,4,10-11,15,17-18H2,1-3H3,(H,31,34)(H,33,38);2*1-5,7,9-10,12,23,34H,6,8,11,13H2,(H,28,31)(H,30,33)/t29-;2*25-/m110/s1.
What are the key properties of 4-[7-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-7-[[5-[(3S)-3-hydroxyoxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-[7-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-7-[[5-[(3R)-3-hydroxyoxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;7-[[5-[(3R)-3-[(dimethylamino)methyl]-3-methoxypiperidin-1-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one?
4-[7-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-7-[[5-[(3S)-3-hydroxyoxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-[7-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-7-[[5-[(3R)-3-hydroxyoxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;7-[[5-[(3R)-3-[(dimethylamino)methyl]-3-methoxypiperidin-1-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one has a molecular weight of 1484.56 g/mol, XLogP of 11.93, 17 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-7-[[5-[(3S)-3-hydroxyoxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-[7-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-7-[[5-[(3R)-3-hydroxyoxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;7-[[5-[(3R)-3-[(dimethylamino)methyl]-3-methoxypiperidin-1-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 158609576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).