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

C86H91F3N20O6 — CID 157074626

IUPAC7-[[6-[(dimethylamino)methyl]-5-[(1R,3R)-3-methoxycyclopentyl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[6-[(dimethylamino)methyl]-5-[(3S)-3-methoxycyclopentyl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[6-[(dimethylamino)methyl]-5-(4-methyl-3-oxopiperazin-1-yl)-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one
SMILESCN(C)Cc1nc(Nc2ccc(-c3cnc4cc(F)ccn34)c3c2C(=O)NC3)ccc1N1CCN(C)C(=O)C1.CO[C@@H]1CC[C@@H](c2ccc(Nc3ccc(-c4cnc5cc(F)ccn45)c4c3C(=O)NC4)nc2CN(C)C)C1.CO[C@H]1CCC(c2ccc(Nc3ccc(-c4cnc5cc(F)ccn45)c4c3C(=O)NC4)nc2CN(C)C)C1
InChIInChI=1S/2C29H31FN6O2.C28H29FN8O2/c2*1-35(2)16-24-20(17-4-5-19(12-17)38-3)7-9-26(34-24)33-23-8-6-21(22-14-32-29(37)28(22)23)25-15-31-27-13-18(30)10-11-36(25)27;1-34(2)15-21-22(36-11-10-35(3)26(38)16-36)6-7-24(33-21)32-20-5-4-18(19-13-31-28(39)27(19)20)23-14-30-25-12-17(29)8-9-37(23)25/h2*6-11,13,15,17,19H,4-5,12,14,16H2,1-3H3,(H,32,37)(H,33,34);4-9,12,14H,10-11,13,15-16H2,1-3H3,(H,31,39)(H,32,33)/t17?,19-;17-,19-;/m01./s1
InChIKeyACVDSRGODLBKBZ-WJEMODQMSA-N
MW1557.80 g/mol
LogP12.60
Rot. Bonds20

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

7-[[6-[(dimethylamino)methyl]-5-[(1R,3R)-3-methoxycyclopentyl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[6-[(dimethylamino)methyl]-5-[(3S)-3-methoxycyclopentyl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[6-[(dimethylamino)methyl]-5-(4-methyl-3-oxopiperazin-1-yl)-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one (PubChem CID 157074626) has the molecular formula C86H91F3N20O6 and a molecular weight of 1557.80 g/mol. Its IUPAC name is 7-[[6-[(dimethylamino)methyl]-5-[(1R,3R)-3-methoxycyclopentyl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[6-[(dimethylamino)methyl]-5-[(3S)-3-methoxycyclopentyl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[6-[(dimethylamino)methyl]-5-(4-methyl-3-oxopiperazin-1-yl)-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name7-[[6-[(dimethylamino)methyl]-5-[(1R,3R)-3-methoxycyclopentyl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[6-[(dimethylamino)methyl]-5-[(3S)-3-methoxycyclopentyl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[6-[(dimethylamino)methyl]-5-(4-methyl-3-oxopiperazin-1-yl)-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one
PubChem CID157074626
Molecular FormulaC86H91F3N20O6
Molecular Weight1557.80 g/mol
Exact Mass1556.74
IUPAC Name7-[[6-[(dimethylamino)methyl]-5-[(1R,3R)-3-methoxycyclopentyl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[6-[(dimethylamino)methyl]-5-[(3S)-3-methoxycyclopentyl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[6-[(dimethylamino)methyl]-5-(4-methyl-3-oxopiperazin-1-yl)-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one
SMILESCN(C)Cc1nc(Nc2ccc(-c3cnc4cc(F)ccn34)c3c2C(=O)NC3)ccc1N1CCN(C)C(=O)C1.CO[C@@H]1CC[C@@H](c2ccc(Nc3ccc(-c4cnc5cc(F)ccn45)c4c3C(=O)NC4)nc2CN(C)C)C1.CO[C@H]1CCC(c2ccc(Nc3ccc(-c4cnc5cc(F)ccn45)c4c3C(=O)NC4)nc2CN(C)C)C1
InChIInChI=1S/2C29H31FN6O2.C28H29FN8O2/c2*1-35(2)16-24-20(17-4-5-19(12-17)38-3)7-9-26(34-24)33-23-8-6-21(22-14-32-29(37)28(22)23)25-15-31-27-13-18(30)10-11-36(25)27;1-34(2)15-21-22(36-11-10-35(3)26(38)16-36)6-7-24(33-21)32-20-5-4-18(19-13-31-28(39)27(19)20)23-14-30-25-12-17(29)8-9-37(23)25/h2*6-11,13,15,17,19H,4-5,12,14,16H2,1-3H3,(H,32,37)(H,33,34);4-9,12,14H,10-11,13,15-16H2,1-3H3,(H,31,39)(H,32,33)/t17?,19-;17-,19-;/m01./s1
InChIKeyACVDSRGODLBKBZ-WJEMODQMSA-N
XLogP12.60
TPSA265.69 Ų
H-Bond Donors6
H-Bond Acceptors22
Rotatable Bonds20
Heavy Atoms115
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001557.80
LogP ≤ 512.60
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1022

Analyze 7-[[6-[(dimethylamino)methyl]-5-[(1R,3R)-3-methoxycyclopentyl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[6-[(dimethylamino)methyl]-5-[(3S)-3-methoxycyclopentyl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[6-[(dimethylamino)methyl]-5-(4-methyl-3-oxopiperazin-1-yl)-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-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
(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
(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
4-(7-fluoroimidazo [1,2-a]pyridin-3-yl)-7-((5-((R)-3-((S)-1-hydroxyethyl) piperidin-1-yl)pyridin-2-yl)amino)isoin-dolin-1-one
CID 156163040
(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-[(1R,3R)-3-methoxycyclopentyl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[6-[(dimethylamino)methyl]-5-[(3S)-3-methoxycyclopentyl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[6-[(dimethylamino)methyl]-5-(4-methyl-3-oxopiperazin-1-yl)-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one?
The IUPAC name of 7-[[6-[(dimethylamino)methyl]-5-[(1R,3R)-3-methoxycyclopentyl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[6-[(dimethylamino)methyl]-5-[(3S)-3-methoxycyclopentyl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[6-[(dimethylamino)methyl]-5-(4-methyl-3-oxopiperazin-1-yl)-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one (CID 157074626) is 7-[[6-[(dimethylamino)methyl]-5-[(1R,3R)-3-methoxycyclopentyl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[6-[(dimethylamino)methyl]-5-[(3S)-3-methoxycyclopentyl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[6-[(dimethylamino)methyl]-5-(4-methyl-3-oxopiperazin-1-yl)-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 7-[[6-[(dimethylamino)methyl]-5-[(1R,3R)-3-methoxycyclopentyl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[6-[(dimethylamino)methyl]-5-[(3S)-3-methoxycyclopentyl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[6-[(dimethylamino)methyl]-5-(4-methyl-3-oxopiperazin-1-yl)-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one?
The canonical SMILES for 7-[[6-[(dimethylamino)methyl]-5-[(1R,3R)-3-methoxycyclopentyl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[6-[(dimethylamino)methyl]-5-[(3S)-3-methoxycyclopentyl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[6-[(dimethylamino)methyl]-5-(4-methyl-3-oxopiperazin-1-yl)-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one is CN(C)Cc1nc(Nc2ccc(-c3cnc4cc(F)ccn34)c3c2C(=O)NC3)ccc1N1CCN(C)C(=O)C1.CO[C@@H]1CC[C@@H](c2ccc(Nc3ccc(-c4cnc5cc(F)ccn45)c4c3C(=O)NC4)nc2CN(C)C)C1.CO[C@H]1CCC(c2ccc(Nc3ccc(-c4cnc5cc(F)ccn45)c4c3C(=O)NC4)nc2CN(C)C)C1.
What is the InChIKey of 7-[[6-[(dimethylamino)methyl]-5-[(1R,3R)-3-methoxycyclopentyl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[6-[(dimethylamino)methyl]-5-[(3S)-3-methoxycyclopentyl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[6-[(dimethylamino)methyl]-5-(4-methyl-3-oxopiperazin-1-yl)-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one?
The InChIKey is ACVDSRGODLBKBZ-WJEMODQMSA-N. The full InChI is InChI=1S/2C29H31FN6O2.C28H29FN8O2/c2*1-35(2)16-24-20(17-4-5-19(12-17)38-3)7-9-26(34-24)33-23-8-6-21(22-14-32-29(37)28(22)23)25-15-31-27-13-18(30)10-11-36(25)27;1-34(2)15-21-22(36-11-10-35(3)26(38)16-36)6-7-24(33-21)32-20-5-4-18(19-13-31-28(39)27(19)20)23-14-30-25-12-17(29)8-9-37(23)25/h2*6-11,13,15,17,19H,4-5,12,14,16H2,1-3H3,(H,32,37)(H,33,34);4-9,12,14H,10-11,13,15-16H2,1-3H3,(H,31,39)(H,32,33)/t17?,19-;17-,19-;/m01./s1.
What are the key properties of 7-[[6-[(dimethylamino)methyl]-5-[(1R,3R)-3-methoxycyclopentyl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[6-[(dimethylamino)methyl]-5-[(3S)-3-methoxycyclopentyl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[6-[(dimethylamino)methyl]-5-(4-methyl-3-oxopiperazin-1-yl)-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one?
7-[[6-[(dimethylamino)methyl]-5-[(1R,3R)-3-methoxycyclopentyl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[6-[(dimethylamino)methyl]-5-[(3S)-3-methoxycyclopentyl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[6-[(dimethylamino)methyl]-5-(4-methyl-3-oxopiperazin-1-yl)-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one has a molecular weight of 1557.80 g/mol, XLogP of 12.60, 20 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[6-[(dimethylamino)methyl]-5-[(1R,3R)-3-methoxycyclopentyl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[6-[(dimethylamino)methyl]-5-[(3S)-3-methoxycyclopentyl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[6-[(dimethylamino)methyl]-5-(4-methyl-3-oxopiperazin-1-yl)-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 157074626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).