7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2,3-dihydroisoindol-1-one;7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-(2-phenyl-1H-indol-3-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one

C82H77F3N20O5 — CID 161263200

IUPAC7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2,3-dihydroisoindol-1-one;7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-(2-phenyl-1H-indol-3-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
SMILESCN1CCN(c2ccc(Nc3cnc(-c4c(-c5ccccc5)[nH]c5ccccc45)c4c3C(=O)NC4)nc2)CC1.Cn1ccc2c(-c3ncc(Nc4ccc(N5CCC(O)CC5)cn4)c4c3CNC4=O)ccnc21.O=C1NCc2c(-c3cnc4cc(C(F)(F)F)ccn34)ccc(Nc3ccc(N4CCC(O)CC4)cn3)c21
InChIInChI=1S/C31H29N7O.C26H23F3N6O2.C25H25N7O2/c1-37-13-15-38(16-14-37)21-11-12-26(32-17-21)35-25-19-33-30(23-18-34-31(39)27(23)25)28-22-9-5-6-10-24(22)36-29(28)20-7-3-2-4-8-20;27-26(28,29)15-5-10-35-21(14-31-23(35)11-15)18-2-3-20(24-19(18)13-32-25(24)37)33-22-4-1-16(12-30-22)34-8-6-17(36)7-9-34;1-31-9-7-18-17(4-8-26-24(18)31)23-19-13-29-25(34)22(19)20(14-28-23)30-21-3-2-15(12-27-21)32-10-5-16(33)6-11-32/h2-12,17,19,36H,13-16,18H2,1H3,(H,32,35)(H,34,39);1-5,10-12,14,17,36H,6-9,13H2,(H,30,33)(H,32,37);2-4,7-9,12,14,16,33H,5-6,10-11,13H2,1H3,(H,27,30)(H,29,34)
InChIKeyVCVIMTIUADKXOC-UHFFFAOYSA-N
MW1479.65 g/mol
LogP12.37
Rot. Bonds13

About 7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2,3-dihydroisoindol-1-one;7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-(2-phenyl-1H-indol-3-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one

7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2,3-dihydroisoindol-1-one;7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-(2-phenyl-1H-indol-3-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one (PubChem CID 161263200) has the molecular formula C82H77F3N20O5 and a molecular weight of 1479.65 g/mol. Its IUPAC name is 7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2,3-dihydroisoindol-1-one;7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-(2-phenyl-1H-indol-3-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one.

Molecular Properties

Compound Name7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2,3-dihydroisoindol-1-one;7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-(2-phenyl-1H-indol-3-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
PubChem CID161263200
Molecular FormulaC82H77F3N20O5
Molecular Weight1479.65 g/mol
Exact Mass1478.63
IUPAC Name7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2,3-dihydroisoindol-1-one;7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-(2-phenyl-1H-indol-3-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
SMILESCN1CCN(c2ccc(Nc3cnc(-c4c(-c5ccccc5)[nH]c5ccccc45)c4c3C(=O)NC4)nc2)CC1.Cn1ccc2c(-c3ncc(Nc4ccc(N5CCC(O)CC5)cn4)c4c3CNC4=O)ccnc21.O=C1NCc2c(-c3cnc4cc(C(F)(F)F)ccn34)ccc(Nc3ccc(N4CCC(O)CC4)cn3)c21
InChIInChI=1S/C31H29N7O.C26H23F3N6O2.C25H25N7O2/c1-37-13-15-38(16-14-37)21-11-12-26(32-17-21)35-25-19-33-30(23-18-34-31(39)27(23)25)28-22-9-5-6-10-24(22)36-29(28)20-7-3-2-4-8-20;27-26(28,29)15-5-10-35-21(14-31-23(35)11-15)18-2-3-20(24-19(18)13-32-25(24)37)33-22-4-1-16(12-30-22)34-8-6-17(36)7-9-34;1-31-9-7-18-17(4-8-26-24(18)31)23-19-13-29-25(34)22(19)20(14-28-23)30-21-3-2-15(12-27-21)32-10-5-16(33)6-11-32/h2-12,17,19,36H,13-16,18H2,1H3,(H,32,35)(H,34,39);1-5,10-12,14,17,36H,6-9,13H2,(H,30,33)(H,32,37);2-4,7-9,12,14,16,33H,5-6,10-11,13H2,1H3,(H,27,30)(H,29,34)
InChIKeyVCVIMTIUADKXOC-UHFFFAOYSA-N
XLogP12.37
TPSA292.17 Ų
H-Bond Donors9
H-Bond Acceptors21
Rotatable Bonds13
Heavy Atoms110
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001479.65
LogP ≤ 512.37
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1021

Analyze 7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2,3-dihydroisoindol-1-one;7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-(2-phenyl-1H-indol-3-yl)-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-((5-((S)-2-((S)-1-hydroxyethyl) morpholino)-pyridin-2-yl)amino)isoin-dolin-1-one
CID 156152701
4-(7-fluoroimidazo [1,2-a]pyridin-3-yl)-7-((5-((R)-2-((R)-1-hydroxyethyl) morpholino)-pyridin-2-yl)amino)isoin-dolin-1-one
CID 156152783
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
7-((5-((3R,4R)-4-fluoro-3-hydroxy-piperidin-1-yl)pyridin-2-yl)amino)-4-(imidazo[1,2-a]pyrazin-3-yl)isoindolin-1-one
CID 156153005
7-((5-((3S,4S)-4-fluoro-3-hydroxy-piperidin-1-yl)pyridin-2-yl)amino)-4-(imidazo[1,2-a]pyrazin-3-yl)isoindolin-1-one
CID 156153209
7-[[5-(4-Hydroxy-1-piperidyl)-2-pyridyl]amino]-4-[7-(trifluorometh-yl)imidazo[1,2-a]pyridin-3-yl[isoindolin-1-one
CID 156162750
7-[[5-(4-Hydroxy-1-piperidyl)-2-pyridyl]amino]-4-[6-(trifluorometh-yl)imidazo[1,2-a]pyridin-3-yl[isoindolin-1-one
CID 156162807
4-(7-Fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one
CID 156162848
4-(7-fluoroimidazo [1,2-a]pyridin-3-yl)-7-[[5-[(2S)-2-(hydroxymeth-yl)morpliolin-4-yl]-2-pyridyl]amino] isoindolin-1-one
CID 156162860
7-[[5-(4-Hydroxy-1-piperidyl)-2-pyridyl]amino]-4-[8-(trifluorometh-yl)imidazo[1,2-a]pyridin-3-yl[isoindolin-1-one
CID 156162872
4-(7-fluoroimidazo [1,2-a]pyridin-3-yl)-7-[[5-[(3R)-3-hydroxy-1-piperipyl]-2-pyripyl]amino] isoindolin-1-one
CID 156162895
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

Frequently Asked Questions

What is the IUPAC name of 7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2,3-dihydroisoindol-1-one;7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-(2-phenyl-1H-indol-3-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one?
The IUPAC name of 7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2,3-dihydroisoindol-1-one;7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-(2-phenyl-1H-indol-3-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one (CID 161263200) is 7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2,3-dihydroisoindol-1-one;7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-(2-phenyl-1H-indol-3-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one.
What is the SMILES notation for 7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2,3-dihydroisoindol-1-one;7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-(2-phenyl-1H-indol-3-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one?
The canonical SMILES for 7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2,3-dihydroisoindol-1-one;7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-(2-phenyl-1H-indol-3-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one is CN1CCN(c2ccc(Nc3cnc(-c4c(-c5ccccc5)[nH]c5ccccc45)c4c3C(=O)NC4)nc2)CC1.Cn1ccc2c(-c3ncc(Nc4ccc(N5CCC(O)CC5)cn4)c4c3CNC4=O)ccnc21.O=C1NCc2c(-c3cnc4cc(C(F)(F)F)ccn34)ccc(Nc3ccc(N4CCC(O)CC4)cn3)c21.
What is the InChIKey of 7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2,3-dihydroisoindol-1-one;7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-(2-phenyl-1H-indol-3-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one?
The InChIKey is VCVIMTIUADKXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29N7O.C26H23F3N6O2.C25H25N7O2/c1-37-13-15-38(16-14-37)21-11-12-26(32-17-21)35-25-19-33-30(23-18-34-31(39)27(23)25)28-22-9-5-6-10-24(22)36-29(28)20-7-3-2-4-8-20;27-26(28,29)15-5-10-35-21(14-31-23(35)11-15)18-2-3-20(24-19(18)13-32-25(24)37)33-22-4-1-16(12-30-22)34-8-6-17(36)7-9-34;1-31-9-7-18-17(4-8-26-24(18)31)23-19-13-29-25(34)22(19)20(14-28-23)30-21-3-2-15(12-27-21)32-10-5-16(33)6-11-32/h2-12,17,19,36H,13-16,18H2,1H3,(H,32,35)(H,34,39);1-5,10-12,14,17,36H,6-9,13H2,(H,30,33)(H,32,37);2-4,7-9,12,14,16,33H,5-6,10-11,13H2,1H3,(H,27,30)(H,29,34).
What are the key properties of 7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2,3-dihydroisoindol-1-one;7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-(2-phenyl-1H-indol-3-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one?
7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2,3-dihydroisoindol-1-one;7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-(2-phenyl-1H-indol-3-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one has a molecular weight of 1479.65 g/mol, XLogP of 12.37, 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]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2,3-dihydroisoindol-1-one;7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-(2-phenyl-1H-indol-3-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 161263200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).