7-[[5-(4-ethyl-3,3-difluoropiperidin-1-yl)-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(2S)-2-(hydroxymethyl)morpholin-4-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(8-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-(4-methoxypiperidin-1-yl)-2-pyridinyl]amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one

C77H74F4N20O6 — CID 158365457

IUPAC7-[[5-(4-ethyl-3,3-difluoropiperidin-1-yl)-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(2S)-2-(hydroxymethyl)morpholin-4-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(8-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-(4-methoxypiperidin-1-yl)-2-pyridinyl]amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
SMILESCCC1CCN(c2ccc(Nc3cnc(-c4ccnc5c4ccn5C)c4c3C(=O)NC4)nc2)CC1(F)F.COC1CCN(c2ccc(Nc3cnc(-c4cnc5c(F)cccn45)c4c3C(=O)NC4)nc2)CC1.O=C1NCc2c(-c3cnc4cc(F)ccn34)ccc(Nc3ccc(N4CCO[C@H](CO)C4)cn3)c21
InChIInChI=1S/C27H27F2N7O.C25H24FN7O2.C25H23FN6O3/c1-3-16-7-11-36(15-27(16,28)29)17-4-5-22(31-12-17)34-21-14-32-24(20-13-33-26(37)23(20)21)18-6-9-30-25-19(18)8-10-35(25)2;1-35-16-6-9-32(10-7-16)15-4-5-21(27-11-15)31-19-13-28-23(17-12-30-25(34)22(17)19)20-14-29-24-18(26)3-2-8-33(20)24;26-15-5-6-32-21(12-28-23(32)9-15)18-2-3-20(24-19(18)11-29-25(24)34)30-22-4-1-16(10-27-22)31-7-8-35-17(13-31)14-33/h4-6,8-10,12,14,16H,3,7,11,13,15H2,1-2H3,(H,31,34)(H,33,37);2-5,8,11,13-14,16H,6-7,9-10,12H2,1H3,(H,27,31)(H,30,34);1-6,9-10,12,17,33H,7-8,11,13-14H2,(H,27,30)(H,29,34)/t;;17-/m..0/s1
InChIKeyGTYZMJJNHCOFPS-IHJWVNRUSA-N
MW1451.56 g/mol
LogP11.14
Rot. Bonds15

About 7-[[5-(4-ethyl-3,3-difluoropiperidin-1-yl)-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(2S)-2-(hydroxymethyl)morpholin-4-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(8-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-(4-methoxypiperidin-1-yl)-2-pyridinyl]amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one

7-[[5-(4-ethyl-3,3-difluoropiperidin-1-yl)-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(2S)-2-(hydroxymethyl)morpholin-4-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(8-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-(4-methoxypiperidin-1-yl)-2-pyridinyl]amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one (PubChem CID 158365457) has the molecular formula C77H74F4N20O6 and a molecular weight of 1451.56 g/mol. Its IUPAC name is 7-[[5-(4-ethyl-3,3-difluoropiperidin-1-yl)-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(2S)-2-(hydroxymethyl)morpholin-4-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(8-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-(4-methoxypiperidin-1-yl)-2-pyridinyl]amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one.

Molecular Properties

Compound Name7-[[5-(4-ethyl-3,3-difluoropiperidin-1-yl)-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(2S)-2-(hydroxymethyl)morpholin-4-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(8-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-(4-methoxypiperidin-1-yl)-2-pyridinyl]amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
PubChem CID158365457
Molecular FormulaC77H74F4N20O6
Molecular Weight1451.56 g/mol
Exact Mass1450.60
IUPAC Name7-[[5-(4-ethyl-3,3-difluoropiperidin-1-yl)-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(2S)-2-(hydroxymethyl)morpholin-4-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(8-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-(4-methoxypiperidin-1-yl)-2-pyridinyl]amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
SMILESCCC1CCN(c2ccc(Nc3cnc(-c4ccnc5c4ccn5C)c4c3C(=O)NC4)nc2)CC1(F)F.COC1CCN(c2ccc(Nc3cnc(-c4cnc5c(F)cccn45)c4c3C(=O)NC4)nc2)CC1.O=C1NCc2c(-c3cnc4cc(F)ccn34)ccc(Nc3ccc(N4CCO[C@H](CO)C4)cn3)c21
InChIInChI=1S/C27H27F2N7O.C25H24FN7O2.C25H23FN6O3/c1-3-16-7-11-36(15-27(16,28)29)17-4-5-22(31-12-17)34-21-14-32-24(20-13-33-26(37)23(20)21)18-6-9-30-25-19(18)8-10-35(25)2;1-35-16-6-9-32(10-7-16)15-4-5-21(27-11-15)31-19-13-28-23(17-12-30-25(34)22(17)19)20-14-29-24-18(26)3-2-8-33(20)24;26-15-5-6-32-21(12-28-23(32)9-15)18-2-3-20(24-19(18)11-29-25(24)34)30-22-4-1-16(10-27-22)31-7-8-35-17(13-31)14-33/h4-6,8-10,12,14,16H,3,7,11,13,15H2,1-2H3,(H,31,34)(H,33,37);2-5,8,11,13-14,16H,6-7,9-10,12H2,1H3,(H,27,31)(H,30,34);1-6,9-10,12,17,33H,7-8,11,13-14H2,(H,27,30)(H,29,34)/t;;17-/m..0/s1
InChIKeyGTYZMJJNHCOFPS-IHJWVNRUSA-N
XLogP11.14
TPSA288.67 Ų
H-Bond Donors7
H-Bond Acceptors23
Rotatable Bonds15
Heavy Atoms107
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001451.56
LogP ≤ 511.14
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1023

Analyze 7-[[5-(4-ethyl-3,3-difluoropiperidin-1-yl)-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(2S)-2-(hydroxymethyl)morpholin-4-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(8-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-(4-methoxypiperidin-1-yl)-2-pyridinyl]amino]-2,3-dihydropyrrolo[3,4-c]pyridin-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-((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-((6-(((S)-3-hxdroxypyrroli din-1-yl)methyl)-5-((R)-tetrahydrofur-an-3-yl)pyridin-2-yl)amino)isoin-dolin-1-one
CID 156152759
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
(R]-4-(7-fluoroimidazo [1,2-a]pyridin-3-yl)-7-((5-(1-morpholinoeth-yl)pyridin-2-yl)amino)isoin-dolin-1-one
CID 156152785
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
(S)-4-(7-fluoroimidazo [1,2-a]pyridin-3-yl)-7-((5-(1-morpholinoeth-yl)pyridin-2-yl)amino)isoin-dolin-1-one
CID 156153068
(R)-7-((6-((dimethylamino)-methyl)-5-(6-hydroxy-1,4-oxazepan-4-yl)pyridin-2-yl)amino)-4-(7-fluoroimidazo [1,2-a]pyridin-3-yl)isoindolin-1-one
CID 156153086
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
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
(R)-4-(7-fluoroimidazo [1,2-a]pyridin-3-yl)-7-((5-(2-(2-hydroxypro-pan-2-yl)morpholino)pyridin-2-yl)amino)isoin-dolin-1-one
CID 156153233
(S)-4-(7-fluoroimidazo [1,2-a]pyridin-3-yl)-7-((5-(2-(2-hydroxypropan-2-yl)morpho-lino)pyridin-2-yl)amino)isoin-dolin-1-one
CID 156153251

Frequently Asked Questions

What is the IUPAC name of 7-[[5-(4-ethyl-3,3-difluoropiperidin-1-yl)-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(2S)-2-(hydroxymethyl)morpholin-4-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(8-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-(4-methoxypiperidin-1-yl)-2-pyridinyl]amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one?
The IUPAC name of 7-[[5-(4-ethyl-3,3-difluoropiperidin-1-yl)-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(2S)-2-(hydroxymethyl)morpholin-4-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(8-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-(4-methoxypiperidin-1-yl)-2-pyridinyl]amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one (CID 158365457) is 7-[[5-(4-ethyl-3,3-difluoropiperidin-1-yl)-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(2S)-2-(hydroxymethyl)morpholin-4-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(8-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-(4-methoxypiperidin-1-yl)-2-pyridinyl]amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one.
What is the SMILES notation for 7-[[5-(4-ethyl-3,3-difluoropiperidin-1-yl)-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(2S)-2-(hydroxymethyl)morpholin-4-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(8-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-(4-methoxypiperidin-1-yl)-2-pyridinyl]amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one?
The canonical SMILES for 7-[[5-(4-ethyl-3,3-difluoropiperidin-1-yl)-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(2S)-2-(hydroxymethyl)morpholin-4-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(8-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-(4-methoxypiperidin-1-yl)-2-pyridinyl]amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one is CCC1CCN(c2ccc(Nc3cnc(-c4ccnc5c4ccn5C)c4c3C(=O)NC4)nc2)CC1(F)F.COC1CCN(c2ccc(Nc3cnc(-c4cnc5c(F)cccn45)c4c3C(=O)NC4)nc2)CC1.O=C1NCc2c(-c3cnc4cc(F)ccn34)ccc(Nc3ccc(N4CCO[C@H](CO)C4)cn3)c21.
What is the InChIKey of 7-[[5-(4-ethyl-3,3-difluoropiperidin-1-yl)-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(2S)-2-(hydroxymethyl)morpholin-4-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(8-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-(4-methoxypiperidin-1-yl)-2-pyridinyl]amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one?
The InChIKey is GTYZMJJNHCOFPS-IHJWVNRUSA-N. The full InChI is InChI=1S/C27H27F2N7O.C25H24FN7O2.C25H23FN6O3/c1-3-16-7-11-36(15-27(16,28)29)17-4-5-22(31-12-17)34-21-14-32-24(20-13-33-26(37)23(20)21)18-6-9-30-25-19(18)8-10-35(25)2;1-35-16-6-9-32(10-7-16)15-4-5-21(27-11-15)31-19-13-28-23(17-12-30-25(34)22(17)19)20-14-29-24-18(26)3-2-8-33(20)24;26-15-5-6-32-21(12-28-23(32)9-15)18-2-3-20(24-19(18)11-29-25(24)34)30-22-4-1-16(10-27-22)31-7-8-35-17(13-31)14-33/h4-6,8-10,12,14,16H,3,7,11,13,15H2,1-2H3,(H,31,34)(H,33,37);2-5,8,11,13-14,16H,6-7,9-10,12H2,1H3,(H,27,31)(H,30,34);1-6,9-10,12,17,33H,7-8,11,13-14H2,(H,27,30)(H,29,34)/t;;17-/m..0/s1.
What are the key properties of 7-[[5-(4-ethyl-3,3-difluoropiperidin-1-yl)-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(2S)-2-(hydroxymethyl)morpholin-4-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(8-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-(4-methoxypiperidin-1-yl)-2-pyridinyl]amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one?
7-[[5-(4-ethyl-3,3-difluoropiperidin-1-yl)-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(2S)-2-(hydroxymethyl)morpholin-4-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(8-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-(4-methoxypiperidin-1-yl)-2-pyridinyl]amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one has a molecular weight of 1451.56 g/mol, XLogP of 11.14, 15 rotatable bonds, 7 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[5-(4-ethyl-3,3-difluoropiperidin-1-yl)-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(2S)-2-(hydroxymethyl)morpholin-4-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(8-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-(4-methoxypiperidin-1-yl)-2-pyridinyl]amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 158365457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).