7-[[6-[(dimethylamino)methyl]-5-(4-hydroxyoxan-4-yl)-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[6-[(dimethylamino)methyl]-5-[(2S)-2-(methoxymethyl)morpholin-4-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-7-[[5-[(3R)-oxolan-3-yl]-6-propyl-2-pyridinyl]amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one

C84H89F2N19O8 — CID 158794466

IUPAC7-[[6-[(dimethylamino)methyl]-5-(4-hydroxyoxan-4-yl)-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[6-[(dimethylamino)methyl]-5-[(2S)-2-(methoxymethyl)morpholin-4-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-7-[[5-[(3R)-oxolan-3-yl]-6-propyl-2-pyridinyl]amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
SMILESCCCc1nc(Nc2cnc(-c3ccnc4c3ccn4C)c3c2C(=O)NC3)ccc1[C@H]1CCOC1.CN(C)Cc1nc(Nc2ccc(-c3cnc4cc(F)ccn34)c3c2C(=O)NC3)ccc1C1(O)CCOCC1.COC[C@@H]1CN(c2ccc(Nc3ccc(-c4cnc5cc(F)ccn45)c4c3C(=O)NC4)nc2CN(C)C)CCO1
InChIInChI=1S/C29H32FN7O3.C28H29FN6O3.C27H28N6O2/c1-35(2)16-23-24(36-10-11-40-19(15-36)17-39-3)6-7-26(34-23)33-22-5-4-20(21-13-32-29(38)28(21)22)25-14-31-27-12-18(30)8-9-37(25)27;1-34(2)16-22-20(28(37)8-11-38-12-9-28)4-6-24(33-22)32-21-5-3-18(19-14-31-27(36)26(19)21)23-15-30-25-13-17(29)7-10-35(23)25;1-3-4-21-17(16-9-12-35-15-16)5-6-23(31-21)32-22-14-29-25(20-13-30-27(34)24(20)22)18-7-10-28-26-19(18)8-11-33(26)2/h4-9,12,14,19H,10-11,13,15-17H2,1-3H3,(H,32,38)(H,33,34);3-7,10,13,15,37H,8-9,11-12,14,16H2,1-2H3,(H,31,36)(H,32,33);5-8,10-11,14,16H,3-4,9,12-13,15H2,1-2H3,(H,30,34)(H,31,32)/t19-;;16-/m0.0/s1
InChIKeyISRPUBQTUODSFN-JOBQFDGXSA-N
MW1530.76 g/mol
LogP11.49
Rot. Bonds20

About 7-[[6-[(dimethylamino)methyl]-5-(4-hydroxyoxan-4-yl)-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[6-[(dimethylamino)methyl]-5-[(2S)-2-(methoxymethyl)morpholin-4-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-7-[[5-[(3R)-oxolan-3-yl]-6-propyl-2-pyridinyl]amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one

7-[[6-[(dimethylamino)methyl]-5-(4-hydroxyoxan-4-yl)-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[6-[(dimethylamino)methyl]-5-[(2S)-2-(methoxymethyl)morpholin-4-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-7-[[5-[(3R)-oxolan-3-yl]-6-propyl-2-pyridinyl]amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one (PubChem CID 158794466) has the molecular formula C84H89F2N19O8 and a molecular weight of 1530.76 g/mol. Its IUPAC name is 7-[[6-[(dimethylamino)methyl]-5-(4-hydroxyoxan-4-yl)-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[6-[(dimethylamino)methyl]-5-[(2S)-2-(methoxymethyl)morpholin-4-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-7-[[5-[(3R)-oxolan-3-yl]-6-propyl-2-pyridinyl]amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one.

Molecular Properties

Compound Name7-[[6-[(dimethylamino)methyl]-5-(4-hydroxyoxan-4-yl)-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[6-[(dimethylamino)methyl]-5-[(2S)-2-(methoxymethyl)morpholin-4-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-7-[[5-[(3R)-oxolan-3-yl]-6-propyl-2-pyridinyl]amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
PubChem CID158794466
Molecular FormulaC84H89F2N19O8
Molecular Weight1530.76 g/mol
Exact Mass1529.71
IUPAC Name7-[[6-[(dimethylamino)methyl]-5-(4-hydroxyoxan-4-yl)-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[6-[(dimethylamino)methyl]-5-[(2S)-2-(methoxymethyl)morpholin-4-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-7-[[5-[(3R)-oxolan-3-yl]-6-propyl-2-pyridinyl]amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
SMILESCCCc1nc(Nc2cnc(-c3ccnc4c3ccn4C)c3c2C(=O)NC3)ccc1[C@H]1CCOC1.CN(C)Cc1nc(Nc2ccc(-c3cnc4cc(F)ccn34)c3c2C(=O)NC3)ccc1C1(O)CCOCC1.COC[C@@H]1CN(c2ccc(Nc3ccc(-c4cnc5cc(F)ccn45)c4c3C(=O)NC4)nc2CN(C)C)CCO1
InChIInChI=1S/C29H32FN7O3.C28H29FN6O3.C27H28N6O2/c1-35(2)16-23-24(36-10-11-40-19(15-36)17-39-3)6-7-26(34-23)33-22-5-4-20(21-13-32-29(38)28(21)22)25-14-31-27-12-18(30)8-9-37(25)27;1-34(2)16-22-20(28(37)8-11-38-12-9-28)4-6-24(33-22)32-21-5-3-18(19-14-31-27(36)26(19)21)23-15-30-25-13-17(29)7-10-35(23)25;1-3-4-21-17(16-9-12-35-15-16)5-6-23(31-21)32-22-14-29-25(20-13-30-27(34)24(20)22)18-7-10-28-26-19(18)8-11-33(26)2/h4-9,12,14,19H,10-11,13,15-17H2,1-3H3,(H,32,38)(H,33,34);3-7,10,13,15,37H,8-9,11-12,14,16H2,1-2H3,(H,31,36)(H,32,33);5-8,10-11,14,16H,3-4,9,12-13,15H2,1-2H3,(H,30,34)(H,31,32)/t19-;;16-/m0.0/s1
InChIKeyISRPUBQTUODSFN-JOBQFDGXSA-N
XLogP11.49
TPSA294.24 Ų
H-Bond Donors7
H-Bond Acceptors24
Rotatable Bonds20
Heavy Atoms113
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001530.76
LogP ≤ 511.49
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1024

Analyze 7-[[6-[(dimethylamino)methyl]-5-(4-hydroxyoxan-4-yl)-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[6-[(dimethylamino)methyl]-5-[(2S)-2-(methoxymethyl)morpholin-4-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-7-[[5-[(3R)-oxolan-3-yl]-6-propyl-2-pyridinyl]amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one with MolForge

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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-(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
(R)-4-(7-fluoroimidazo [1,2-a]pyridin-3-yl)-7-((6-((3-methoxyazet-idin-1-yl)methyl)-5-(tetrahydrofuran-3-yl)pyridin-2-yl)amiiio)isoin-dolin-1-one
CID 156163307
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-((3,3-difluoropyrro-lidin-1-yl)methyl)-5-(tetrahydrofuran-3-yl)pyridin-2-yl)amino)-4-(7-fluoroimidazo [1,2-a]pyridin-3-yl)isoindolin-1-one
CID 156163468
(R)-7-((6-((3,3-difluoropyrro-lidin-1-yl)methyl)-5-(tetrahydrofuran-3-yl)pyridin-2-yl)amino)-4-(7-fluoroimidazo [1,2-a]pyridin-3-yl)isoindolin-1-one
CID 156163493
4-(7-fluoroimidazo [1,2-a]pyridin-3-yl)-7-((6-(((R)-3-fluoropyrrol-idin-1-yl)methyl)-5-((S)-tetrahydrofur-an-3-yl)pyridin-2-yl)amino)isoin-dolin-1-one
CID 156163499
(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

Frequently Asked Questions

What is the IUPAC name of 7-[[6-[(dimethylamino)methyl]-5-(4-hydroxyoxan-4-yl)-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[6-[(dimethylamino)methyl]-5-[(2S)-2-(methoxymethyl)morpholin-4-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-7-[[5-[(3R)-oxolan-3-yl]-6-propyl-2-pyridinyl]amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one?
The IUPAC name of 7-[[6-[(dimethylamino)methyl]-5-(4-hydroxyoxan-4-yl)-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[6-[(dimethylamino)methyl]-5-[(2S)-2-(methoxymethyl)morpholin-4-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-7-[[5-[(3R)-oxolan-3-yl]-6-propyl-2-pyridinyl]amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one (CID 158794466) is 7-[[6-[(dimethylamino)methyl]-5-(4-hydroxyoxan-4-yl)-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[6-[(dimethylamino)methyl]-5-[(2S)-2-(methoxymethyl)morpholin-4-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-7-[[5-[(3R)-oxolan-3-yl]-6-propyl-2-pyridinyl]amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one.
What is the SMILES notation for 7-[[6-[(dimethylamino)methyl]-5-(4-hydroxyoxan-4-yl)-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[6-[(dimethylamino)methyl]-5-[(2S)-2-(methoxymethyl)morpholin-4-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-7-[[5-[(3R)-oxolan-3-yl]-6-propyl-2-pyridinyl]amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one?
The canonical SMILES for 7-[[6-[(dimethylamino)methyl]-5-(4-hydroxyoxan-4-yl)-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[6-[(dimethylamino)methyl]-5-[(2S)-2-(methoxymethyl)morpholin-4-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-7-[[5-[(3R)-oxolan-3-yl]-6-propyl-2-pyridinyl]amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one is CCCc1nc(Nc2cnc(-c3ccnc4c3ccn4C)c3c2C(=O)NC3)ccc1[C@H]1CCOC1.CN(C)Cc1nc(Nc2ccc(-c3cnc4cc(F)ccn34)c3c2C(=O)NC3)ccc1C1(O)CCOCC1.COC[C@@H]1CN(c2ccc(Nc3ccc(-c4cnc5cc(F)ccn45)c4c3C(=O)NC4)nc2CN(C)C)CCO1.
What is the InChIKey of 7-[[6-[(dimethylamino)methyl]-5-(4-hydroxyoxan-4-yl)-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[6-[(dimethylamino)methyl]-5-[(2S)-2-(methoxymethyl)morpholin-4-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-7-[[5-[(3R)-oxolan-3-yl]-6-propyl-2-pyridinyl]amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one?
The InChIKey is ISRPUBQTUODSFN-JOBQFDGXSA-N. The full InChI is InChI=1S/C29H32FN7O3.C28H29FN6O3.C27H28N6O2/c1-35(2)16-23-24(36-10-11-40-19(15-36)17-39-3)6-7-26(34-23)33-22-5-4-20(21-13-32-29(38)28(21)22)25-14-31-27-12-18(30)8-9-37(25)27;1-34(2)16-22-20(28(37)8-11-38-12-9-28)4-6-24(33-22)32-21-5-3-18(19-14-31-27(36)26(19)21)23-15-30-25-13-17(29)7-10-35(23)25;1-3-4-21-17(16-9-12-35-15-16)5-6-23(31-21)32-22-14-29-25(20-13-30-27(34)24(20)22)18-7-10-28-26-19(18)8-11-33(26)2/h4-9,12,14,19H,10-11,13,15-17H2,1-3H3,(H,32,38)(H,33,34);3-7,10,13,15,37H,8-9,11-12,14,16H2,1-2H3,(H,31,36)(H,32,33);5-8,10-11,14,16H,3-4,9,12-13,15H2,1-2H3,(H,30,34)(H,31,32)/t19-;;16-/m0.0/s1.
What are the key properties of 7-[[6-[(dimethylamino)methyl]-5-(4-hydroxyoxan-4-yl)-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[6-[(dimethylamino)methyl]-5-[(2S)-2-(methoxymethyl)morpholin-4-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-7-[[5-[(3R)-oxolan-3-yl]-6-propyl-2-pyridinyl]amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one?
7-[[6-[(dimethylamino)methyl]-5-(4-hydroxyoxan-4-yl)-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[6-[(dimethylamino)methyl]-5-[(2S)-2-(methoxymethyl)morpholin-4-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-7-[[5-[(3R)-oxolan-3-yl]-6-propyl-2-pyridinyl]amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one has a molecular weight of 1530.76 g/mol, XLogP of 11.49, 20 rotatable bonds, 7 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[6-[(dimethylamino)methyl]-5-(4-hydroxyoxan-4-yl)-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[6-[(dimethylamino)methyl]-5-[(2S)-2-(methoxymethyl)morpholin-4-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-7-[[5-[(3R)-oxolan-3-yl]-6-propyl-2-pyridinyl]amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 158794466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).