4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[4-[(1S)-1-hydroxyethyl]piperidin-1-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(3S)-3-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-(3-methylimidazo[1,2-a]pyridin-8-yl)-2,3-dihydroisoindol-1-one

C81H82F2N18O6 — CID 157391644

IUPAC4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[4-[(1S)-1-hydroxyethyl]piperidin-1-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(3S)-3-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-(3-methylimidazo[1,2-a]pyridin-8-yl)-2,3-dihydroisoindol-1-one
SMILESCC(C)(O)[C@H]1CCCN(c2ccc(Nc3ccc(-c4cnc5cc(F)ccn45)c4c3C(=O)NC4)nc2)C1.C[C@H](O)C1CCN(c2ccc(Nc3ccc(-c4cnc5cc(F)ccn45)c4c3C(=O)NC4)nc2)CC1.Cc1cnc2c(-c3ccc(Nc4ccc(N5CCC(O)CC5)cn4)c4c3CNC4=O)cccn12
InChIInChI=1S/C28H29FN6O2.C27H27FN6O2.C26H26N6O2/c1-28(2,37)17-4-3-10-34(16-17)19-5-8-24(30-13-19)33-22-7-6-20(21-14-32-27(36)26(21)22)23-15-31-25-12-18(29)9-11-35(23)25;1-16(35)17-6-9-33(10-7-17)19-2-5-24(29-13-19)32-22-4-3-20(21-14-31-27(36)26(21)22)23-15-30-25-12-18(28)8-11-34(23)25;1-16-13-28-25-20(3-2-10-32(16)25)19-5-6-22(24-21(19)15-29-26(24)34)30-23-7-4-17(14-27-23)31-11-8-18(33)9-12-31/h5-9,11-13,15,17,37H,3-4,10,14,16H2,1-2H3,(H,30,33)(H,32,36);2-5,8,11-13,15-17,35H,6-7,9-10,14H2,1H3,(H,29,32)(H,31,36);2-7,10,13-14,18,33H,8-9,11-12,15H2,1H3,(H,27,30)(H,29,34)/t17-;16-;/m00./s1
InChIKeyBMBPOLGNGNTJMS-GGJYKSOCSA-N
MW1441.66 g/mol
LogP12.28
Rot. Bonds14

About 4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[4-[(1S)-1-hydroxyethyl]piperidin-1-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(3S)-3-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-(3-methylimidazo[1,2-a]pyridin-8-yl)-2,3-dihydroisoindol-1-one

4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[4-[(1S)-1-hydroxyethyl]piperidin-1-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(3S)-3-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-(3-methylimidazo[1,2-a]pyridin-8-yl)-2,3-dihydroisoindol-1-one (PubChem CID 157391644) has the molecular formula C81H82F2N18O6 and a molecular weight of 1441.66 g/mol. Its IUPAC name is 4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[4-[(1S)-1-hydroxyethyl]piperidin-1-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(3S)-3-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-(3-methylimidazo[1,2-a]pyridin-8-yl)-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[4-[(1S)-1-hydroxyethyl]piperidin-1-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(3S)-3-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-(3-methylimidazo[1,2-a]pyridin-8-yl)-2,3-dihydroisoindol-1-one
PubChem CID157391644
Molecular FormulaC81H82F2N18O6
Molecular Weight1441.66 g/mol
Exact Mass1440.66
IUPAC Name4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[4-[(1S)-1-hydroxyethyl]piperidin-1-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(3S)-3-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-(3-methylimidazo[1,2-a]pyridin-8-yl)-2,3-dihydroisoindol-1-one
SMILESCC(C)(O)[C@H]1CCCN(c2ccc(Nc3ccc(-c4cnc5cc(F)ccn45)c4c3C(=O)NC4)nc2)C1.C[C@H](O)C1CCN(c2ccc(Nc3ccc(-c4cnc5cc(F)ccn45)c4c3C(=O)NC4)nc2)CC1.Cc1cnc2c(-c3ccc(Nc4ccc(N5CCC(O)CC5)cn4)c4c3CNC4=O)cccn12
InChIInChI=1S/C28H29FN6O2.C27H27FN6O2.C26H26N6O2/c1-28(2,37)17-4-3-10-34(16-17)19-5-8-24(30-13-19)33-22-7-6-20(21-14-32-27(36)26(21)22)23-15-31-25-12-18(29)9-11-35(23)25;1-16(35)17-6-9-33(10-7-17)19-2-5-24(29-13-19)32-22-4-3-20(21-14-31-27(36)26(21)22)23-15-30-25-12-18(28)8-11-34(23)25;1-16-13-28-25-20(3-2-10-32(16)25)19-5-6-22(24-21(19)15-29-26(24)34)30-23-7-4-17(14-27-23)31-11-8-18(33)9-12-31/h5-9,11-13,15,17,37H,3-4,10,14,16H2,1-2H3,(H,30,33)(H,32,36);2-5,8,11-13,15-17,35H,6-7,9-10,14H2,1H3,(H,29,32)(H,31,36);2-7,10,13-14,18,33H,8-9,11-12,15H2,1H3,(H,27,30)(H,29,34)/t17-;16-;/m00./s1
InChIKeyBMBPOLGNGNTJMS-GGJYKSOCSA-N
XLogP12.28
TPSA284.37 Ų
H-Bond Donors9
H-Bond Acceptors21
Rotatable Bonds14
Heavy Atoms107
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001441.66
LogP ≤ 512.28
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1021

Analyze 4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[4-[(1S)-1-hydroxyethyl]piperidin-1-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(3S)-3-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-(3-methylimidazo[1,2-a]pyridin-8-yl)-2,3-dihydroisoindol-1-one with MolForge

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Related Compounds

(S)-7-((6-((Dimethylamino)methyl)-5-(tetrahydrofuran-3-YL)pyridin-2-YL)amino)-4-(7-fluoroimidazo[1,2-A]pyridin-3-YL)isoindolin-1-one
CID 156152735
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
(S)-7-((6-(((2,2-difluoroethyl))-methyl)amino) methyl)-5-(tetrahydrofuran-3-yl)pyridin-2-yl)amino)-4-(7-fluoroimidazo [1,2-a]pyridin-3-yl)isoindolin-1-one
CID 156152763
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
(R)-7-((6-(((2,2-difluoroethyl))-methyl)amino) methyl)-5-(tetrahydrofuran-3-yl)pyridin-2-yl)amino)-4-(7-fluoroimidazo [1,2-a]pyridin-3-yl)isoindolin-1-one
CID 156152968
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
(R)-7-((6-((dimethylamino)-methyl)-5-(tetrahydrofuran-3-yl)pyridin-2-yl)amino)-4-(7-fluoroimidazo [1,2-a]pyridin-3-yl)isoindolin-1-one
CID 156153036
HPK1 antagonist-1
CID 156153112
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

Frequently Asked Questions

What is the IUPAC name of 4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[4-[(1S)-1-hydroxyethyl]piperidin-1-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(3S)-3-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-(3-methylimidazo[1,2-a]pyridin-8-yl)-2,3-dihydroisoindol-1-one?
The IUPAC name of 4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[4-[(1S)-1-hydroxyethyl]piperidin-1-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(3S)-3-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-(3-methylimidazo[1,2-a]pyridin-8-yl)-2,3-dihydroisoindol-1-one (CID 157391644) is 4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[4-[(1S)-1-hydroxyethyl]piperidin-1-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(3S)-3-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-(3-methylimidazo[1,2-a]pyridin-8-yl)-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[4-[(1S)-1-hydroxyethyl]piperidin-1-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(3S)-3-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-(3-methylimidazo[1,2-a]pyridin-8-yl)-2,3-dihydroisoindol-1-one?
The canonical SMILES for 4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[4-[(1S)-1-hydroxyethyl]piperidin-1-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(3S)-3-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-(3-methylimidazo[1,2-a]pyridin-8-yl)-2,3-dihydroisoindol-1-one is CC(C)(O)[C@H]1CCCN(c2ccc(Nc3ccc(-c4cnc5cc(F)ccn45)c4c3C(=O)NC4)nc2)C1.C[C@H](O)C1CCN(c2ccc(Nc3ccc(-c4cnc5cc(F)ccn45)c4c3C(=O)NC4)nc2)CC1.Cc1cnc2c(-c3ccc(Nc4ccc(N5CCC(O)CC5)cn4)c4c3CNC4=O)cccn12.
What is the InChIKey of 4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[4-[(1S)-1-hydroxyethyl]piperidin-1-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(3S)-3-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-(3-methylimidazo[1,2-a]pyridin-8-yl)-2,3-dihydroisoindol-1-one?
The InChIKey is BMBPOLGNGNTJMS-GGJYKSOCSA-N. The full InChI is InChI=1S/C28H29FN6O2.C27H27FN6O2.C26H26N6O2/c1-28(2,37)17-4-3-10-34(16-17)19-5-8-24(30-13-19)33-22-7-6-20(21-14-32-27(36)26(21)22)23-15-31-25-12-18(29)9-11-35(23)25;1-16(35)17-6-9-33(10-7-17)19-2-5-24(29-13-19)32-22-4-3-20(21-14-31-27(36)26(21)22)23-15-30-25-12-18(28)8-11-34(23)25;1-16-13-28-25-20(3-2-10-32(16)25)19-5-6-22(24-21(19)15-29-26(24)34)30-23-7-4-17(14-27-23)31-11-8-18(33)9-12-31/h5-9,11-13,15,17,37H,3-4,10,14,16H2,1-2H3,(H,30,33)(H,32,36);2-5,8,11-13,15-17,35H,6-7,9-10,14H2,1H3,(H,29,32)(H,31,36);2-7,10,13-14,18,33H,8-9,11-12,15H2,1H3,(H,27,30)(H,29,34)/t17-;16-;/m00./s1.
What are the key properties of 4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[4-[(1S)-1-hydroxyethyl]piperidin-1-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(3S)-3-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-(3-methylimidazo[1,2-a]pyridin-8-yl)-2,3-dihydroisoindol-1-one?
4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[4-[(1S)-1-hydroxyethyl]piperidin-1-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(3S)-3-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-(3-methylimidazo[1,2-a]pyridin-8-yl)-2,3-dihydroisoindol-1-one has a molecular weight of 1441.66 g/mol, XLogP of 12.28, 14 rotatable bonds, 9 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[4-[(1S)-1-hydroxyethyl]piperidin-1-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(3S)-3-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-(3-methylimidazo[1,2-a]pyridin-8-yl)-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 157391644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).