7-[[5-[(3S,4S)-4-fluoro-3-hydroxypiperidin-1-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(2R)-2-(2-hydroxypropan-2-yl)morpholin-4-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;7-[[5-[4-hydroxy-4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one

C82H83F3N20O8 — CID 157329040

IUPAC7-[[5-[(3S,4S)-4-fluoro-3-hydroxypiperidin-1-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(2R)-2-(2-hydroxypropan-2-yl)morpholin-4-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;7-[[5-[4-hydroxy-4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
SMILESCC(C)(O)[C@H]1CN(c2ccc(Nc3ccc(-c4cnc5cc(F)ccn45)c4c3C(=O)NC4)nc2)CCO1.Cn1ccc2c(-c3ncc(Nc4ccc(N5CCC(O)(CN6CCOCC6)CC5)cn4)c4c3CNC4=O)ccnc21.O=C1NCc2c(-c3cnc4cc(F)ccn34)ccc(Nc3ccc(N4CC[C@H](F)[C@@H](O)C4)cn3)c21
InChIInChI=1S/C30H34N8O3.C27H27FN6O3.C25H22F2N6O2/c1-36-9-5-22-21(4-8-31-28(22)36)27-23-17-34-29(39)26(23)24(18-33-27)35-25-3-2-20(16-32-25)38-10-6-30(40,7-11-38)19-37-12-14-41-15-13-37;1-27(2,36)22-15-33(9-10-37-22)17-3-6-23(29-12-17)32-20-5-4-18(19-13-31-26(35)25(19)20)21-14-30-24-11-16(28)7-8-34(21)24;26-14-5-8-33-20(12-29-23(33)9-14)16-2-3-19(24-17(16)11-30-25(24)35)31-22-4-1-15(10-28-22)32-7-6-18(27)21(34)13-32/h2-5,8-9,16,18,40H,6-7,10-15,17,19H2,1H3,(H,32,35)(H,34,39);3-8,11-12,14,22,36H,9-10,13,15H2,1-2H3,(H,29,32)(H,31,35);1-5,8-10,12,18,21,34H,6-7,11,13H2,(H,28,31)(H,30,35)/t;22-;18-,21-/m.10/s1
InChIKeyBFBLOKGNNMFLHA-OEVRKDPPSA-N
MW1533.69 g/mol
LogP9.61
Rot. Bonds15

About 7-[[5-[(3S,4S)-4-fluoro-3-hydroxypiperidin-1-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(2R)-2-(2-hydroxypropan-2-yl)morpholin-4-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;7-[[5-[4-hydroxy-4-(morpholin-4-ylmethyl)piperidin-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-[(3S,4S)-4-fluoro-3-hydroxypiperidin-1-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(2R)-2-(2-hydroxypropan-2-yl)morpholin-4-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;7-[[5-[4-hydroxy-4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one (PubChem CID 157329040) has the molecular formula C82H83F3N20O8 and a molecular weight of 1533.69 g/mol. Its IUPAC name is 7-[[5-[(3S,4S)-4-fluoro-3-hydroxypiperidin-1-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(2R)-2-(2-hydroxypropan-2-yl)morpholin-4-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;7-[[5-[4-hydroxy-4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one.

Molecular Properties

Compound Name7-[[5-[(3S,4S)-4-fluoro-3-hydroxypiperidin-1-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(2R)-2-(2-hydroxypropan-2-yl)morpholin-4-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;7-[[5-[4-hydroxy-4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
PubChem CID157329040
Molecular FormulaC82H83F3N20O8
Molecular Weight1533.69 g/mol
Exact Mass1532.67
IUPAC Name7-[[5-[(3S,4S)-4-fluoro-3-hydroxypiperidin-1-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(2R)-2-(2-hydroxypropan-2-yl)morpholin-4-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;7-[[5-[4-hydroxy-4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
SMILESCC(C)(O)[C@H]1CN(c2ccc(Nc3ccc(-c4cnc5cc(F)ccn45)c4c3C(=O)NC4)nc2)CCO1.Cn1ccc2c(-c3ncc(Nc4ccc(N5CCC(O)(CN6CCOCC6)CC5)cn4)c4c3CNC4=O)ccnc21.O=C1NCc2c(-c3cnc4cc(F)ccn34)ccc(Nc3ccc(N4CC[C@H](F)[C@@H](O)C4)cn3)c21
InChIInChI=1S/C30H34N8O3.C27H27FN6O3.C25H22F2N6O2/c1-36-9-5-22-21(4-8-31-28(22)36)27-23-17-34-29(39)26(23)24(18-33-27)35-25-3-2-20(16-32-25)38-10-6-30(40,7-11-38)19-37-12-14-41-15-13-37;1-27(2,36)22-15-33(9-10-37-22)17-3-6-23(29-12-17)32-20-5-4-18(19-13-31-26(35)25(19)20)21-14-30-24-11-16(28)7-8-34(21)24;26-14-5-8-33-20(12-29-23(33)9-14)16-2-3-19(24-17(16)11-30-25(24)35)31-22-4-1-15(10-28-22)32-7-6-18(27)21(34)13-32/h2-5,8-9,16,18,40H,6-7,10-15,17,19H2,1H3,(H,32,35)(H,34,39);3-8,11-12,14,22,36H,9-10,13,15H2,1-2H3,(H,29,32)(H,31,35);1-5,8-10,12,18,21,34H,6-7,11,13H2,(H,28,31)(H,30,35)/t;22-;18-,21-/m.10/s1
InChIKeyBFBLOKGNNMFLHA-OEVRKDPPSA-N
XLogP9.61
TPSA319.48 Ų
H-Bond Donors9
H-Bond Acceptors25
Rotatable Bonds15
Heavy Atoms113
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001533.69
LogP ≤ 59.61
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1025

Analyze 7-[[5-[(3S,4S)-4-fluoro-3-hydroxypiperidin-1-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(2R)-2-(2-hydroxypropan-2-yl)morpholin-4-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;7-[[5-[4-hydroxy-4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-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-((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
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
(S)-7-((6-((dimethylamino)-methyl)-5-(6-hydroxy-l.4-oxazepan-4-yl)pyridin-2-yl)amino)-4-(7-fluoroimidazo [1,2-a]pyridin-3-yl)isoindolin-1-one
CID 156153270

Frequently Asked Questions

What is the IUPAC name of 7-[[5-[(3S,4S)-4-fluoro-3-hydroxypiperidin-1-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(2R)-2-(2-hydroxypropan-2-yl)morpholin-4-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;7-[[5-[4-hydroxy-4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one?
The IUPAC name of 7-[[5-[(3S,4S)-4-fluoro-3-hydroxypiperidin-1-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(2R)-2-(2-hydroxypropan-2-yl)morpholin-4-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;7-[[5-[4-hydroxy-4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one (CID 157329040) is 7-[[5-[(3S,4S)-4-fluoro-3-hydroxypiperidin-1-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(2R)-2-(2-hydroxypropan-2-yl)morpholin-4-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;7-[[5-[4-hydroxy-4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one.
What is the SMILES notation for 7-[[5-[(3S,4S)-4-fluoro-3-hydroxypiperidin-1-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(2R)-2-(2-hydroxypropan-2-yl)morpholin-4-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;7-[[5-[4-hydroxy-4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one?
The canonical SMILES for 7-[[5-[(3S,4S)-4-fluoro-3-hydroxypiperidin-1-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(2R)-2-(2-hydroxypropan-2-yl)morpholin-4-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;7-[[5-[4-hydroxy-4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one is CC(C)(O)[C@H]1CN(c2ccc(Nc3ccc(-c4cnc5cc(F)ccn45)c4c3C(=O)NC4)nc2)CCO1.Cn1ccc2c(-c3ncc(Nc4ccc(N5CCC(O)(CN6CCOCC6)CC5)cn4)c4c3CNC4=O)ccnc21.O=C1NCc2c(-c3cnc4cc(F)ccn34)ccc(Nc3ccc(N4CC[C@H](F)[C@@H](O)C4)cn3)c21.
What is the InChIKey of 7-[[5-[(3S,4S)-4-fluoro-3-hydroxypiperidin-1-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(2R)-2-(2-hydroxypropan-2-yl)morpholin-4-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;7-[[5-[4-hydroxy-4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one?
The InChIKey is BFBLOKGNNMFLHA-OEVRKDPPSA-N. The full InChI is InChI=1S/C30H34N8O3.C27H27FN6O3.C25H22F2N6O2/c1-36-9-5-22-21(4-8-31-28(22)36)27-23-17-34-29(39)26(23)24(18-33-27)35-25-3-2-20(16-32-25)38-10-6-30(40,7-11-38)19-37-12-14-41-15-13-37;1-27(2,36)22-15-33(9-10-37-22)17-3-6-23(29-12-17)32-20-5-4-18(19-13-31-26(35)25(19)20)21-14-30-24-11-16(28)7-8-34(21)24;26-14-5-8-33-20(12-29-23(33)9-14)16-2-3-19(24-17(16)11-30-25(24)35)31-22-4-1-15(10-28-22)32-7-6-18(27)21(34)13-32/h2-5,8-9,16,18,40H,6-7,10-15,17,19H2,1H3,(H,32,35)(H,34,39);3-8,11-12,14,22,36H,9-10,13,15H2,1-2H3,(H,29,32)(H,31,35);1-5,8-10,12,18,21,34H,6-7,11,13H2,(H,28,31)(H,30,35)/t;22-;18-,21-/m.10/s1.
What are the key properties of 7-[[5-[(3S,4S)-4-fluoro-3-hydroxypiperidin-1-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(2R)-2-(2-hydroxypropan-2-yl)morpholin-4-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;7-[[5-[4-hydroxy-4-(morpholin-4-ylmethyl)piperidin-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-[(3S,4S)-4-fluoro-3-hydroxypiperidin-1-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(2R)-2-(2-hydroxypropan-2-yl)morpholin-4-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;7-[[5-[4-hydroxy-4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one has a molecular weight of 1533.69 g/mol, XLogP of 9.61, 15 rotatable bonds, 9 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[5-[(3S,4S)-4-fluoro-3-hydroxypiperidin-1-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(2R)-2-(2-hydroxypropan-2-yl)morpholin-4-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;7-[[5-[4-hydroxy-4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 157329040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).