7-[[6-[(dimethylamino)methyl]-5-[(2S)-oxolan-2-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[6-[(dimethylamino)methyl]-5-(oxolan-3-yl)-2-pyridinyl]amino]-4-(7-methylimidazo[1,2-a]pyrimidin-3-yl)-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-(3-methylbutyl)-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one

C83H86F2N18O6 — CID 158694825

IUPAC7-[[6-[(dimethylamino)methyl]-5-[(2S)-oxolan-2-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[6-[(dimethylamino)methyl]-5-(oxolan-3-yl)-2-pyridinyl]amino]-4-(7-methylimidazo[1,2-a]pyrimidin-3-yl)-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-(3-methylbutyl)-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one
SMILESCC(C)CCc1nc(Nc2ccc(-c3cnc4cc(F)ccn34)c3c2C(=O)NC3)ccc1[C@H]1CCOC1.CN(C)Cc1nc(Nc2ccc(-c3cnc4cc(F)ccn34)c3c2C(=O)NC3)ccc1[C@@H]1CCCO1.Cc1ccn2c(-c3ccc(Nc4ccc(C5CCOC5)c(CN(C)C)n4)c4c3CNC4=O)cnc2n1
InChIInChI=1S/C29H30FN5O2.C27H27FN6O2.C27H29N7O2/c1-17(2)3-6-23-20(18-10-12-37-16-18)5-8-26(33-23)34-24-7-4-21(22-14-32-29(36)28(22)24)25-15-31-27-13-19(30)9-11-35(25)27;1-33(2)15-21-18(23-4-3-11-36-23)6-8-24(32-21)31-20-7-5-17(19-13-30-27(35)26(19)20)22-14-29-25-12-16(28)9-10-34(22)25;1-16-8-10-34-23(13-29-27(34)30-16)19-4-6-21(25-20(19)12-28-26(25)35)31-24-7-5-18(17-9-11-36-15-17)22(32-24)14-33(2)3/h4-5,7-9,11,13,15,17-18H,3,6,10,12,14,16H2,1-2H3,(H,32,36)(H,33,34);5-10,12,14,23H,3-4,11,13,15H2,1-2H3,(H,30,35)(H,31,32);4-8,10,13,17H,9,11-12,14-15H2,1-3H3,(H,28,35)(H,31,32)/t18-;23-;/m00./s1
InChIKeyIGUPVNJVECZFDI-VPCRDIAQSA-N
MW1469.72 g/mol
LogP13.70
Rot. Bonds19

About 7-[[6-[(dimethylamino)methyl]-5-[(2S)-oxolan-2-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[6-[(dimethylamino)methyl]-5-(oxolan-3-yl)-2-pyridinyl]amino]-4-(7-methylimidazo[1,2-a]pyrimidin-3-yl)-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-(3-methylbutyl)-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one

7-[[6-[(dimethylamino)methyl]-5-[(2S)-oxolan-2-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[6-[(dimethylamino)methyl]-5-(oxolan-3-yl)-2-pyridinyl]amino]-4-(7-methylimidazo[1,2-a]pyrimidin-3-yl)-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-(3-methylbutyl)-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one (PubChem CID 158694825) has the molecular formula C83H86F2N18O6 and a molecular weight of 1469.72 g/mol. Its IUPAC name is 7-[[6-[(dimethylamino)methyl]-5-[(2S)-oxolan-2-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[6-[(dimethylamino)methyl]-5-(oxolan-3-yl)-2-pyridinyl]amino]-4-(7-methylimidazo[1,2-a]pyrimidin-3-yl)-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-(3-methylbutyl)-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name7-[[6-[(dimethylamino)methyl]-5-[(2S)-oxolan-2-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[6-[(dimethylamino)methyl]-5-(oxolan-3-yl)-2-pyridinyl]amino]-4-(7-methylimidazo[1,2-a]pyrimidin-3-yl)-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-(3-methylbutyl)-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one
PubChem CID158694825
Molecular FormulaC83H86F2N18O6
Molecular Weight1469.72 g/mol
Exact Mass1468.69
IUPAC Name7-[[6-[(dimethylamino)methyl]-5-[(2S)-oxolan-2-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[6-[(dimethylamino)methyl]-5-(oxolan-3-yl)-2-pyridinyl]amino]-4-(7-methylimidazo[1,2-a]pyrimidin-3-yl)-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-(3-methylbutyl)-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one
SMILESCC(C)CCc1nc(Nc2ccc(-c3cnc4cc(F)ccn34)c3c2C(=O)NC3)ccc1[C@H]1CCOC1.CN(C)Cc1nc(Nc2ccc(-c3cnc4cc(F)ccn34)c3c2C(=O)NC3)ccc1[C@@H]1CCCO1.Cc1ccn2c(-c3ccc(Nc4ccc(C5CCOC5)c(CN(C)C)n4)c4c3CNC4=O)cnc2n1
InChIInChI=1S/C29H30FN5O2.C27H27FN6O2.C27H29N7O2/c1-17(2)3-6-23-20(18-10-12-37-16-18)5-8-26(33-23)34-24-7-4-21(22-14-32-29(36)28(22)24)25-15-31-27-13-19(30)9-11-35(25)27;1-33(2)15-21-18(23-4-3-11-36-23)6-8-24(32-21)31-20-7-5-17(19-13-30-27(35)26(19)20)22-14-29-25-12-16(28)9-10-34(22)25;1-16-8-10-34-23(13-29-27(34)30-16)19-4-6-21(25-20(19)12-28-26(25)35)31-24-7-5-18(17-9-11-36-15-17)22(32-24)14-33(2)3/h4-5,7-9,11,13,15,17-18H,3,6,10,12,14,16H2,1-2H3,(H,32,36)(H,33,34);5-10,12,14,23H,3-4,11,13,15H2,1-2H3,(H,30,35)(H,31,32);4-8,10,13,17H,9,11-12,14-15H2,1-3H3,(H,28,35)(H,31,32)/t18-;23-;/m00./s1
InChIKeyIGUPVNJVECZFDI-VPCRDIAQSA-N
XLogP13.70
TPSA261.02 Ų
H-Bond Donors6
H-Bond Acceptors21
Rotatable Bonds19
Heavy Atoms109
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001469.72
LogP ≤ 513.70
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1021

Analyze 7-[[6-[(dimethylamino)methyl]-5-[(2S)-oxolan-2-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[6-[(dimethylamino)methyl]-5-(oxolan-3-yl)-2-pyridinyl]amino]-4-(7-methylimidazo[1,2-a]pyrimidin-3-yl)-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-(3-methylbutyl)-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one with MolForge

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Launch Full Analysis

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
(R)-7-((6-(((2,2-difluoroethyl)-amino)methyl)-5-(tetrahydrofuran-3-yl)pyridin-2-yl)amino)-4-(7-fluoroimidazo [1,2-a]pyridin-3-yl)isoindolin-1-one
CID 156152708
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
7-((6-((Dimethylamino)-methyl)-5-(1-methoxycyclo propyl)pyridin-2-yl)amino)-4-(7-fluoroimidazo [1,2-a]pyridin-3-yl)isoindolin-1-one
CID 156152844
(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
(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
(S)-7-((6-(((2,2-difluoroethyl)-amino)methyl)-5-(tetrahydrofuran-3-yl)pyridin-2-yl)amino)-4-(7-fluoroimidazo [1,2-a]pyridin-3-yl)isoindolin-1-one
CID 156153143
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
(S)-4-(7-fluoroimidazo [1,2-a]pyridin-3-yl)-7-((5-(tetrahydro-furan-3-yl)pyridin-2-yl)amino)isoin-dolin-1-one
CID 156162952
(S)-4-(7-fluoroimidazo [1,2-a]pyridin-3-yl)-7-((6-(pyrrolidin-1-ylmethyl)-5-(tetrahydrofuran-3-yl)pyridin-2-yl)amino)isoin-dolin-1-one
CID 156163144

Frequently Asked Questions

What is the IUPAC name of 7-[[6-[(dimethylamino)methyl]-5-[(2S)-oxolan-2-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[6-[(dimethylamino)methyl]-5-(oxolan-3-yl)-2-pyridinyl]amino]-4-(7-methylimidazo[1,2-a]pyrimidin-3-yl)-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-(3-methylbutyl)-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one?
The IUPAC name of 7-[[6-[(dimethylamino)methyl]-5-[(2S)-oxolan-2-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[6-[(dimethylamino)methyl]-5-(oxolan-3-yl)-2-pyridinyl]amino]-4-(7-methylimidazo[1,2-a]pyrimidin-3-yl)-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-(3-methylbutyl)-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one (CID 158694825) is 7-[[6-[(dimethylamino)methyl]-5-[(2S)-oxolan-2-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[6-[(dimethylamino)methyl]-5-(oxolan-3-yl)-2-pyridinyl]amino]-4-(7-methylimidazo[1,2-a]pyrimidin-3-yl)-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-(3-methylbutyl)-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 7-[[6-[(dimethylamino)methyl]-5-[(2S)-oxolan-2-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[6-[(dimethylamino)methyl]-5-(oxolan-3-yl)-2-pyridinyl]amino]-4-(7-methylimidazo[1,2-a]pyrimidin-3-yl)-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-(3-methylbutyl)-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one?
The canonical SMILES for 7-[[6-[(dimethylamino)methyl]-5-[(2S)-oxolan-2-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[6-[(dimethylamino)methyl]-5-(oxolan-3-yl)-2-pyridinyl]amino]-4-(7-methylimidazo[1,2-a]pyrimidin-3-yl)-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-(3-methylbutyl)-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one is CC(C)CCc1nc(Nc2ccc(-c3cnc4cc(F)ccn34)c3c2C(=O)NC3)ccc1[C@H]1CCOC1.CN(C)Cc1nc(Nc2ccc(-c3cnc4cc(F)ccn34)c3c2C(=O)NC3)ccc1[C@@H]1CCCO1.Cc1ccn2c(-c3ccc(Nc4ccc(C5CCOC5)c(CN(C)C)n4)c4c3CNC4=O)cnc2n1.
What is the InChIKey of 7-[[6-[(dimethylamino)methyl]-5-[(2S)-oxolan-2-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[6-[(dimethylamino)methyl]-5-(oxolan-3-yl)-2-pyridinyl]amino]-4-(7-methylimidazo[1,2-a]pyrimidin-3-yl)-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-(3-methylbutyl)-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one?
The InChIKey is IGUPVNJVECZFDI-VPCRDIAQSA-N. The full InChI is InChI=1S/C29H30FN5O2.C27H27FN6O2.C27H29N7O2/c1-17(2)3-6-23-20(18-10-12-37-16-18)5-8-26(33-23)34-24-7-4-21(22-14-32-29(36)28(22)24)25-15-31-27-13-19(30)9-11-35(25)27;1-33(2)15-21-18(23-4-3-11-36-23)6-8-24(32-21)31-20-7-5-17(19-13-30-27(35)26(19)20)22-14-29-25-12-16(28)9-10-34(22)25;1-16-8-10-34-23(13-29-27(34)30-16)19-4-6-21(25-20(19)12-28-26(25)35)31-24-7-5-18(17-9-11-36-15-17)22(32-24)14-33(2)3/h4-5,7-9,11,13,15,17-18H,3,6,10,12,14,16H2,1-2H3,(H,32,36)(H,33,34);5-10,12,14,23H,3-4,11,13,15H2,1-2H3,(H,30,35)(H,31,32);4-8,10,13,17H,9,11-12,14-15H2,1-3H3,(H,28,35)(H,31,32)/t18-;23-;/m00./s1.
What are the key properties of 7-[[6-[(dimethylamino)methyl]-5-[(2S)-oxolan-2-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[6-[(dimethylamino)methyl]-5-(oxolan-3-yl)-2-pyridinyl]amino]-4-(7-methylimidazo[1,2-a]pyrimidin-3-yl)-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-(3-methylbutyl)-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one?
7-[[6-[(dimethylamino)methyl]-5-[(2S)-oxolan-2-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[6-[(dimethylamino)methyl]-5-(oxolan-3-yl)-2-pyridinyl]amino]-4-(7-methylimidazo[1,2-a]pyrimidin-3-yl)-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-(3-methylbutyl)-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one has a molecular weight of 1469.72 g/mol, XLogP of 13.70, 19 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[6-[(dimethylamino)methyl]-5-[(2S)-oxolan-2-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[6-[(dimethylamino)methyl]-5-(oxolan-3-yl)-2-pyridinyl]amino]-4-(7-methylimidazo[1,2-a]pyrimidin-3-yl)-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-(3-methylbutyl)-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 158694825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).