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

C84H82F8N18O6 — CID 158855002

IUPAC4-[7-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-7-[[6-[(dimethylamino)methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-[7-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-7-[[6-[(dimethylamino)methyl]-5-[(3S)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one
SMILESCN(C)Cc1nc(Nc2ccc(-c3cnc4cc(C(F)F)ccn34)c3c2C(=O)NC3)ccc1[C@@H]1CCOC1.CN(C)Cc1nc(Nc2ccc(-c3cnc4cc(C(F)F)ccn34)c3c2C(=O)NC3)ccc1[C@H]1CCOC1.CN(Cc1nc(Nc2ccc(-c3cnc4cc(F)ccn34)c3c2C(=O)NC3)ccc1[C@H]1CCOC1)CC(F)(F)F
InChIInChI=1S/C28H26F4N6O2.2C28H28F2N6O2/c1-37(15-28(30,31)32)13-22-18(16-7-9-40-14-16)3-5-24(36-22)35-21-4-2-19(20-11-34-27(39)26(20)21)23-12-33-25-10-17(29)6-8-38(23)25;2*1-35(2)14-22-18(17-8-10-38-15-17)4-6-24(34-22)33-21-5-3-19(20-12-32-28(37)26(20)21)23-13-31-25-11-16(27(29)30)7-9-36(23)25/h2-6,8,10,12,16H,7,9,11,13-15H2,1H3,(H,34,39)(H,35,36);2*3-7,9,11,13,17,27H,8,10,12,14-15H2,1-2H3,(H,32,37)(H,33,34)/t16-;2*17-/m010/s1
InChIKeyIZXZRZKQMSDLJR-ZHCBPVBOSA-N
MW1591.68 g/mol
LogP14.79
Rot. Bonds21

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

4-[7-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-7-[[6-[(dimethylamino)methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-[7-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-7-[[6-[(dimethylamino)methyl]-5-[(3S)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one (PubChem CID 158855002) has the molecular formula C84H82F8N18O6 and a molecular weight of 1591.68 g/mol. Its IUPAC name is 4-[7-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-7-[[6-[(dimethylamino)methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-[7-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-7-[[6-[(dimethylamino)methyl]-5-[(3S)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name4-[7-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-7-[[6-[(dimethylamino)methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-[7-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-7-[[6-[(dimethylamino)methyl]-5-[(3S)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one
PubChem CID158855002
Molecular FormulaC84H82F8N18O6
Molecular Weight1591.68 g/mol
Exact Mass1590.65
IUPAC Name4-[7-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-7-[[6-[(dimethylamino)methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-[7-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-7-[[6-[(dimethylamino)methyl]-5-[(3S)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one
SMILESCN(C)Cc1nc(Nc2ccc(-c3cnc4cc(C(F)F)ccn34)c3c2C(=O)NC3)ccc1[C@@H]1CCOC1.CN(C)Cc1nc(Nc2ccc(-c3cnc4cc(C(F)F)ccn34)c3c2C(=O)NC3)ccc1[C@H]1CCOC1.CN(Cc1nc(Nc2ccc(-c3cnc4cc(F)ccn34)c3c2C(=O)NC3)ccc1[C@H]1CCOC1)CC(F)(F)F
InChIInChI=1S/C28H26F4N6O2.2C28H28F2N6O2/c1-37(15-28(30,31)32)13-22-18(16-7-9-40-14-16)3-5-24(36-22)35-21-4-2-19(20-11-34-27(39)26(20)21)23-12-33-25-10-17(29)6-8-38(23)25;2*1-35(2)14-22-18(17-8-10-38-15-17)4-6-24(34-22)33-21-5-3-19(20-12-32-28(37)26(20)21)23-13-31-25-11-16(27(29)30)7-9-36(23)25/h2-6,8,10,12,16H,7,9,11,13-15H2,1H3,(H,34,39)(H,35,36);2*3-7,9,11,13,17,27H,8,10,12,14-15H2,1-2H3,(H,32,37)(H,33,34)/t16-;2*17-/m010/s1
InChIKeyIZXZRZKQMSDLJR-ZHCBPVBOSA-N
XLogP14.79
TPSA251.37 Ų
H-Bond Donors6
H-Bond Acceptors21
Rotatable Bonds21
Heavy Atoms116
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001591.68
LogP ≤ 514.79
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1021

Analyze 4-[7-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-7-[[6-[(dimethylamino)methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-[7-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-7-[[6-[(dimethylamino)methyl]-5-[(3S)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-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
7-((6-((dimethylamino)-methyl)-5-(3-(methoxymeth-yl)THF-3-yl)pyridin-2-yl)amino)-4-(7-fluoroimidazo [1,2-a]pyridin-3-yl)isoindolin-1-one
CID 156153296
(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-((1-methyl-5-(tetrahydro-2]-4-pyran-4-yl)-1H-pyrazol-4-yl)amino)isoin-dolin-1-one
CID 156163042

Frequently Asked Questions

What is the IUPAC name of 4-[7-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-7-[[6-[(dimethylamino)methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-[7-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-7-[[6-[(dimethylamino)methyl]-5-[(3S)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one?
The IUPAC name of 4-[7-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-7-[[6-[(dimethylamino)methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-[7-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-7-[[6-[(dimethylamino)methyl]-5-[(3S)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one (CID 158855002) is 4-[7-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-7-[[6-[(dimethylamino)methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-[7-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-7-[[6-[(dimethylamino)methyl]-5-[(3S)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 4-[7-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-7-[[6-[(dimethylamino)methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-[7-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-7-[[6-[(dimethylamino)methyl]-5-[(3S)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one?
The canonical SMILES for 4-[7-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-7-[[6-[(dimethylamino)methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-[7-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-7-[[6-[(dimethylamino)methyl]-5-[(3S)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one is CN(C)Cc1nc(Nc2ccc(-c3cnc4cc(C(F)F)ccn34)c3c2C(=O)NC3)ccc1[C@@H]1CCOC1.CN(C)Cc1nc(Nc2ccc(-c3cnc4cc(C(F)F)ccn34)c3c2C(=O)NC3)ccc1[C@H]1CCOC1.CN(Cc1nc(Nc2ccc(-c3cnc4cc(F)ccn34)c3c2C(=O)NC3)ccc1[C@H]1CCOC1)CC(F)(F)F.
What is the InChIKey of 4-[7-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-7-[[6-[(dimethylamino)methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-[7-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-7-[[6-[(dimethylamino)methyl]-5-[(3S)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one?
The InChIKey is IZXZRZKQMSDLJR-ZHCBPVBOSA-N. The full InChI is InChI=1S/C28H26F4N6O2.2C28H28F2N6O2/c1-37(15-28(30,31)32)13-22-18(16-7-9-40-14-16)3-5-24(36-22)35-21-4-2-19(20-11-34-27(39)26(20)21)23-12-33-25-10-17(29)6-8-38(23)25;2*1-35(2)14-22-18(17-8-10-38-15-17)4-6-24(34-22)33-21-5-3-19(20-12-32-28(37)26(20)21)23-13-31-25-11-16(27(29)30)7-9-36(23)25/h2-6,8,10,12,16H,7,9,11,13-15H2,1H3,(H,34,39)(H,35,36);2*3-7,9,11,13,17,27H,8,10,12,14-15H2,1-2H3,(H,32,37)(H,33,34)/t16-;2*17-/m010/s1.
What are the key properties of 4-[7-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-7-[[6-[(dimethylamino)methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-[7-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-7-[[6-[(dimethylamino)methyl]-5-[(3S)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one?
4-[7-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-7-[[6-[(dimethylamino)methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-[7-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-7-[[6-[(dimethylamino)methyl]-5-[(3S)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one has a molecular weight of 1591.68 g/mol, XLogP of 14.79, 21 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-7-[[6-[(dimethylamino)methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-[7-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-7-[[6-[(dimethylamino)methyl]-5-[(3S)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 158855002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).