7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-3,3-dimethyl-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2H-isoindol-1-one;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-(1-methylindol-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;7-[[5-[(3S)-3-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydroisoindol-1-one

C83H88N18O6 — CID 161398817

IUPAC7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-3,3-dimethyl-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2H-isoindol-1-one;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-(1-methylindol-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;7-[[5-[(3S)-3-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydroisoindol-1-one
SMILESCn1ccc2c(-c3ccc(Nc4ccc(N5CCC(O)CC5)cn4)c4c3C(C)(C)NC4=O)ccnc21.Cn1ccc2c(-c3ccc(Nc4ccc(N5CCC[C@H](C(C)(C)O)C5)cn4)c4c3CNC4=O)ccnc21.Cn1ccc2c(-c3ncc(Nc4ccc(N5CCC(O)CC5)cn4)c4c3CNC4=O)cccc21
InChIInChI=1S/C29H32N6O2.C28H30N6O2.C26H26N6O2/c1-29(2,37)18-5-4-13-35(17-18)19-6-9-25(31-15-19)33-24-8-7-20(23-16-32-28(36)26(23)24)21-10-12-30-27-22(21)11-14-34(27)3;1-28(2)25-20(19-8-12-29-26-21(19)11-13-33(26)3)5-6-22(24(25)27(36)32-28)31-23-7-4-17(16-30-23)34-14-9-18(35)10-15-34;1-31-10-9-18-19(3-2-4-22(18)31)25-20-14-29-26(34)24(20)21(15-28-25)30-23-6-5-16(13-27-23)32-11-7-17(33)8-12-32/h6-12,14-15,18,37H,4-5,13,16-17H2,1-3H3,(H,31,33)(H,32,36);4-8,11-13,16,18,35H,9-10,14-15H2,1-3H3,(H,30,31)(H,32,36);2-6,9-10,13,15,17,33H,7-8,11-12,14H2,1H3,(H,27,30)(H,29,34)/t18-;;/m0../s1
InChIKeyVTYPEUYZYYTTEO-NTEVMMBTSA-N
MW1433.74 g/mol
LogP12.51
Rot. Bonds13

About 7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-3,3-dimethyl-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2H-isoindol-1-one;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-(1-methylindol-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;7-[[5-[(3S)-3-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydroisoindol-1-one

7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-3,3-dimethyl-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2H-isoindol-1-one;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-(1-methylindol-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;7-[[5-[(3S)-3-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydroisoindol-1-one (PubChem CID 161398817) has the molecular formula C83H88N18O6 and a molecular weight of 1433.74 g/mol. Its IUPAC name is 7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-3,3-dimethyl-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2H-isoindol-1-one;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-(1-methylindol-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;7-[[5-[(3S)-3-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-3,3-dimethyl-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2H-isoindol-1-one;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-(1-methylindol-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;7-[[5-[(3S)-3-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydroisoindol-1-one
PubChem CID161398817
Molecular FormulaC83H88N18O6
Molecular Weight1433.74 g/mol
Exact Mass1432.71
IUPAC Name7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-3,3-dimethyl-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2H-isoindol-1-one;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-(1-methylindol-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;7-[[5-[(3S)-3-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydroisoindol-1-one
SMILESCn1ccc2c(-c3ccc(Nc4ccc(N5CCC(O)CC5)cn4)c4c3C(C)(C)NC4=O)ccnc21.Cn1ccc2c(-c3ccc(Nc4ccc(N5CCC[C@H](C(C)(C)O)C5)cn4)c4c3CNC4=O)ccnc21.Cn1ccc2c(-c3ncc(Nc4ccc(N5CCC(O)CC5)cn4)c4c3CNC4=O)cccc21
InChIInChI=1S/C29H32N6O2.C28H30N6O2.C26H26N6O2/c1-29(2,37)18-5-4-13-35(17-18)19-6-9-25(31-15-19)33-24-8-7-20(23-16-32-28(36)26(23)24)21-10-12-30-27-22(21)11-14-34(27)3;1-28(2)25-20(19-8-12-29-26-21(19)11-13-33(26)3)5-6-22(24(25)27(36)32-28)31-23-7-4-17(16-30-23)34-14-9-18(35)10-15-34;1-31-10-9-18-19(3-2-4-22(18)31)25-20-14-29-26(34)24(20)21(15-28-25)30-23-6-5-16(13-27-23)32-11-7-17(33)8-12-32/h6-12,14-15,18,37H,4-5,13,16-17H2,1-3H3,(H,31,33)(H,32,36);4-8,11-13,16,18,35H,9-10,14-15H2,1-3H3,(H,30,31)(H,32,36);2-6,9-10,13,15,17,33H,7-8,11-12,14H2,1H3,(H,27,30)(H,29,34)/t18-;;/m0../s1
InChIKeyVTYPEUYZYYTTEO-NTEVMMBTSA-N
XLogP12.51
TPSA285.93 Ų
H-Bond Donors9
H-Bond Acceptors21
Rotatable Bonds13
Heavy Atoms107
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001433.74
LogP ≤ 512.51
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1021

Analyze 7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-3,3-dimethyl-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2H-isoindol-1-one;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-(1-methylindol-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;7-[[5-[(3S)-3-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydroisoindol-1-one with MolForge

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Related Compounds

5-Fluoro-7-[[5-(4-hydroxy-1-piperidyl)-2-pyridyl)amino]-4-(1-methylpyrrolo [2,3-b]pyridin-4-yl)isoindolin-1-one
CID 156152902
4-(8-Fluoro-7-methyl-imidazo[1,2-a]pyridin-3-yl)-7-[[5-(4-hydroxy-1-piperidyl)-2-pyridyl]amino [isoindolin-1-one
CID 156162909
4-(7-fluoroimidazo [1,2-a]pyridin-3-yl)-7-[[5-[(3S)-3-(1-hydroxy-1-methyl-ethyl)-1-piperidyl]-2-pyridyl]amino] isoindolin-1-one
CID 156162911
4-(7-Fluoroimidazo [1,2-a]pyridin-3-yl)-7-((5-(4-hydroxy-4-((4-methylpiperazin-1-yl)methyl)pip-eridin-1-yl)pyridin-2-yl)amino)isoin-dolin-1-one
CID 156163023
4-(7-fluoroimidazo [1,2-a]pyridin-3-yl)-7-((5-((R)-3-((S)-1-hydroxyethyl) piperidin-1-yl)pyridin-2-yl)amino)isoin-dolin-1-one
CID 156163040
7-((3-fluoro-5-(4-hydroxy-piperidin-1-yl)pyridin-2-yl)amino)-4-(1-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)isoindolin-1-one
CID 156163245
7-((6-((Dimethylamino)-methyl)-5-(4-hydroxypiperidin-1-yl)pyridin-2-yl)amino)-4-(7-fluoroimidazo [1,2-a]pyridin-3-yl)isoindolin-1-one
CID 156163483
4-(7-Fluoro-8-methyl-imidazo[1,2-a]pyridin-3-yl)-7-[[5-(4-hydroxy-1-piperidyl)-2-pyridyl]amino] isoindolin-1-one
CID 156163519
4-(7-fluoroimidazo [1,2-a]pyridin-3-yl)-7-[[5-[4-[(1S)-1-hydroxyethyl]-l-piperidyl]-2-pyridyl]amino] isoindolin-1-one
CID 156163567
4-(7-fluoroimidazo [1,2-a]pyridin-3-yl)-7-[[5-1(3R)-3-(1-hydroxy-1-methyl-ethyl)-1-piperidyl]-2-pyridyl]amino] isoindolin-1-one
CID 156163572
4-(7-fluoroimidazo [1,2-a]pyridin-3-yl)-7-((5-((S)-3-((R)-1-hydroxyethyl) piperidin-1-yl)pyridin-2-yl)amino)isoin-dolin-1-one
CID 156163640
4-(8-Fluoro-7-methylimidazo [1,2-a]pyridin-3-yl)-7-((5-(4-hydroxy-4-((4-methylpiperazin-1-yl)methyl)piper-idin-1-yl)pyridin-2-yl)amino)isoin-dolin-1-one
CID 156163650

Frequently Asked Questions

What is the IUPAC name of 7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-3,3-dimethyl-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2H-isoindol-1-one;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-(1-methylindol-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;7-[[5-[(3S)-3-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydroisoindol-1-one?
The IUPAC name of 7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-3,3-dimethyl-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2H-isoindol-1-one;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-(1-methylindol-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;7-[[5-[(3S)-3-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydroisoindol-1-one (CID 161398817) is 7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-3,3-dimethyl-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2H-isoindol-1-one;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-(1-methylindol-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;7-[[5-[(3S)-3-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-3,3-dimethyl-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2H-isoindol-1-one;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-(1-methylindol-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;7-[[5-[(3S)-3-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydroisoindol-1-one?
The canonical SMILES for 7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-3,3-dimethyl-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2H-isoindol-1-one;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-(1-methylindol-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;7-[[5-[(3S)-3-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydroisoindol-1-one is Cn1ccc2c(-c3ccc(Nc4ccc(N5CCC(O)CC5)cn4)c4c3C(C)(C)NC4=O)ccnc21.Cn1ccc2c(-c3ccc(Nc4ccc(N5CCC[C@H](C(C)(C)O)C5)cn4)c4c3CNC4=O)ccnc21.Cn1ccc2c(-c3ncc(Nc4ccc(N5CCC(O)CC5)cn4)c4c3CNC4=O)cccc21.
What is the InChIKey of 7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-3,3-dimethyl-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2H-isoindol-1-one;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-(1-methylindol-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;7-[[5-[(3S)-3-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydroisoindol-1-one?
The InChIKey is VTYPEUYZYYTTEO-NTEVMMBTSA-N. The full InChI is InChI=1S/C29H32N6O2.C28H30N6O2.C26H26N6O2/c1-29(2,37)18-5-4-13-35(17-18)19-6-9-25(31-15-19)33-24-8-7-20(23-16-32-28(36)26(23)24)21-10-12-30-27-22(21)11-14-34(27)3;1-28(2)25-20(19-8-12-29-26-21(19)11-13-33(26)3)5-6-22(24(25)27(36)32-28)31-23-7-4-17(16-30-23)34-14-9-18(35)10-15-34;1-31-10-9-18-19(3-2-4-22(18)31)25-20-14-29-26(34)24(20)21(15-28-25)30-23-6-5-16(13-27-23)32-11-7-17(33)8-12-32/h6-12,14-15,18,37H,4-5,13,16-17H2,1-3H3,(H,31,33)(H,32,36);4-8,11-13,16,18,35H,9-10,14-15H2,1-3H3,(H,30,31)(H,32,36);2-6,9-10,13,15,17,33H,7-8,11-12,14H2,1H3,(H,27,30)(H,29,34)/t18-;;/m0../s1.
What are the key properties of 7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-3,3-dimethyl-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2H-isoindol-1-one;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-(1-methylindol-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;7-[[5-[(3S)-3-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydroisoindol-1-one?
7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-3,3-dimethyl-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2H-isoindol-1-one;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-(1-methylindol-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;7-[[5-[(3S)-3-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydroisoindol-1-one has a molecular weight of 1433.74 g/mol, XLogP of 12.51, 13 rotatable bonds, 9 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-3,3-dimethyl-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2H-isoindol-1-one;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-(1-methylindol-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;7-[[5-[(3S)-3-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 161398817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).