tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[4-(3-hydroxyoxolan-3-yl)anilino]-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[5-[(3S)-3-hydroxyoxolan-3-yl]-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[5-[(3R)-3-hydroxyoxolan-3-yl]-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;methane

C91H97F3N14O15 — CID 157375296

IUPACtert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[4-(3-hydroxyoxolan-3-yl)anilino]-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[5-[(3S)-3-hydroxyoxolan-3-yl]-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[5-[(3R)-3-hydroxyoxolan-3-yl]-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;methane
SMILESC.C.C.CC(C)(C)OC(=O)N1Cc2c(-c3cnc4cc(F)ccn34)ccc(Nc3ccc(C4(O)CCOC4)cc3)c2C1=O.CC(C)(C)OC(=O)N1Cc2c(-c3cnc4cc(F)ccn34)ccc(Nc3ccc([C@@]4(O)CCOC4)cn3)c2C1=O.CC(C)(C)OC(=O)N1Cc2c(-c3cnc4cc(F)ccn34)ccc(Nc3ccc([C@]4(O)CCOC4)cn3)c2C1=O
InChIInChI=1S/C30H29FN4O5.2C29H28FN5O5.3CH4/c1-29(2,3)40-28(37)35-16-22-21(24-15-32-25-14-19(31)10-12-34(24)25)8-9-23(26(22)27(35)36)33-20-6-4-18(5-7-20)30(38)11-13-39-17-30;2*1-28(2,3)40-27(37)35-15-20-19(22-14-32-24-12-18(30)8-10-34(22)24)5-6-21(25(20)26(35)36)33-23-7-4-17(13-31-23)29(38)9-11-39-16-29;;;/h4-10,12,14-15,33,38H,11,13,16-17H2,1-3H3;2*4-8,10,12-14,38H,9,11,15-16H2,1-3H3,(H,31,33);3*1H4/t;2*29-;;;/m.10.../s1
InChIKeyBKGINVAUOLCTCF-PALOWYJCSA-N
MW1683.85 g/mol
LogP16.85
Rot. Bonds12

About tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[4-(3-hydroxyoxolan-3-yl)anilino]-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[5-[(3S)-3-hydroxyoxolan-3-yl]-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[5-[(3R)-3-hydroxyoxolan-3-yl]-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;methane

tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[4-(3-hydroxyoxolan-3-yl)anilino]-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[5-[(3S)-3-hydroxyoxolan-3-yl]-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[5-[(3R)-3-hydroxyoxolan-3-yl]-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;methane (PubChem CID 157375296) has the molecular formula C91H97F3N14O15 and a molecular weight of 1683.85 g/mol. Its IUPAC name is tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[4-(3-hydroxyoxolan-3-yl)anilino]-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[5-[(3S)-3-hydroxyoxolan-3-yl]-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[5-[(3R)-3-hydroxyoxolan-3-yl]-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;methane.

Molecular Properties

Compound Nametert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[4-(3-hydroxyoxolan-3-yl)anilino]-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[5-[(3S)-3-hydroxyoxolan-3-yl]-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[5-[(3R)-3-hydroxyoxolan-3-yl]-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;methane
PubChem CID157375296
Molecular FormulaC91H97F3N14O15
Molecular Weight1683.85 g/mol
Exact Mass1682.72
IUPAC Nametert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[4-(3-hydroxyoxolan-3-yl)anilino]-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[5-[(3S)-3-hydroxyoxolan-3-yl]-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[5-[(3R)-3-hydroxyoxolan-3-yl]-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;methane
SMILESC.C.C.CC(C)(C)OC(=O)N1Cc2c(-c3cnc4cc(F)ccn34)ccc(Nc3ccc(C4(O)CCOC4)cc3)c2C1=O.CC(C)(C)OC(=O)N1Cc2c(-c3cnc4cc(F)ccn34)ccc(Nc3ccc([C@@]4(O)CCOC4)cn3)c2C1=O.CC(C)(C)OC(=O)N1Cc2c(-c3cnc4cc(F)ccn34)ccc(Nc3ccc([C@]4(O)CCOC4)cn3)c2C1=O
InChIInChI=1S/C30H29FN4O5.2C29H28FN5O5.3CH4/c1-29(2,3)40-28(37)35-16-22-21(24-15-32-25-14-19(31)10-12-34(24)25)8-9-23(26(22)27(35)36)33-20-6-4-18(5-7-20)30(38)11-13-39-17-30;2*1-28(2,3)40-27(37)35-15-20-19(22-14-32-24-12-18(30)8-10-34(22)24)5-6-21(25(20)26(35)36)33-23-7-4-17(13-31-23)29(38)9-11-39-16-29;;;/h4-10,12,14-15,33,38H,11,13,16-17H2,1-3H3;2*4-8,10,12-14,38H,9,11,15-16H2,1-3H3,(H,31,33);3*1H4/t;2*29-;;;/m.10.../s1
InChIKeyBKGINVAUOLCTCF-PALOWYJCSA-N
XLogP16.85
TPSA341.98 Ų
H-Bond Donors6
H-Bond Acceptors26
Rotatable Bonds12
Heavy Atoms123
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001683.85
LogP ≤ 516.85
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[4-(3-hydroxyoxolan-3-yl)anilino]-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[5-[(3S)-3-hydroxyoxolan-3-yl]-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[5-[(3R)-3-hydroxyoxolan-3-yl]-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(S)-4-(7-fluoroimidazo [1,2-a]pyridin-3-yl)-7-((5-(3-hydroxytetra-hydrofuran-3-yl)pyridin-2-yl)amino)isoin-dolin-1-one
CID 156153043
(R)-4-(7-fluoroimidazo [1,2-a]pyridin-3-yl)-7-((5-(3-hydroxytetra-hydrofuran-3-yl)pyridin-2-yl)amino)isoin-dolin-1-one
CID 156153047
4-(8-fluoro-7-methylimidazo [1,2-a]pyridin-3-yl)-7-((5-(4-hydroxytetra-hydro-2H-pyran-4-yl)pyridin-2-yl)amino)isoin-dolin-1-one
CID 156163244
(R)-4-(7-(difluoromethyl)-imidazo[1,2-a]pyridin-3-yl)-7-((5-(3-hydroxytetra-hydrofuran-3-yl)pyridin-2-yl)amino)isoin-dolin-1-one
CID 156163289
4-(7-fluoroimidazo [1,2-a]pyridin-3-yl)-7-((5-(4-hydroxtetra-hydro-2H-pyran-4-yl)pyridin-2-yl)amino)isoin-dolin-1-one
CID 156163622
7-((6-((dimethylamino)-methyl)-5-(4-methoxytetra-hydro-2H-pyran-4-yl)pyridin-2-yl)amino)-4-(7-fluoroimidazo [1,2-a]pyridin-3-yl)isoindolin-1-one
CID 156163641
7-((4-((dimethylamino)-methyl)-5-(4-hydrowtetra-hydro-2H-pyran-4-yl)pyridin-2-yl)amino)-4-(7-fluoroimidazo [1,2-a]pyridin-3-yl)isoindolin-1-one
CID 156163868
(S)-4-(7-(difluoromethyl)-imidazo[1,2-a]pyridin-3-yl)-7-((5-(3-hydroxytetra-hydrofuran-3-yl)pyridin-2-yl)amino)isoin-dolin-1-one
CID 156163921
4-(7-(difluoromethyl)-imidazo[1,2-a]pyridin-3-yl)-7-((5-(4-hydroxytetra-hydro-2H-pyran-4-yl)pyridin-2-yl)amino)isoin-dolin-1-one
CID 156163932
7-((6-((dimethylamino)-methyl)-5-(4-hydroxytetra-hydro-2H-pyran-4-yl)pyridin-2-yl)amino)-4-(7-fluoroimidazo [1,2-a]pyridin-3-yl)isoindolin-1-one
CID 156163998
(R]-4-(8-fluoro-7-methylimidazo [1,2-a]pyridin-3-yl)-7-((5-(3-hydroxytetra-hydrofuran-3-yl)pyridin-2-yl)amino)isoin-dolin-1-one
CID 156164002
(R)-7-((6-((dimethylamino)-methyl)-5-(3-hydroxytetra-hydrofuran-3-yl)pyridin-2-yl)amino)-4-(7-fluoroimidazo [1,2-a]pyridin-3-yl)isoindolin-1-one
CID 156164184

Frequently Asked Questions

What is the IUPAC name of tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[4-(3-hydroxyoxolan-3-yl)anilino]-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[5-[(3S)-3-hydroxyoxolan-3-yl]-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[5-[(3R)-3-hydroxyoxolan-3-yl]-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;methane?
The IUPAC name of tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[4-(3-hydroxyoxolan-3-yl)anilino]-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[5-[(3S)-3-hydroxyoxolan-3-yl]-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[5-[(3R)-3-hydroxyoxolan-3-yl]-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;methane (CID 157375296) is tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[4-(3-hydroxyoxolan-3-yl)anilino]-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[5-[(3S)-3-hydroxyoxolan-3-yl]-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[5-[(3R)-3-hydroxyoxolan-3-yl]-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;methane.
What is the SMILES notation for tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[4-(3-hydroxyoxolan-3-yl)anilino]-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[5-[(3S)-3-hydroxyoxolan-3-yl]-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[5-[(3R)-3-hydroxyoxolan-3-yl]-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;methane?
The canonical SMILES for tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[4-(3-hydroxyoxolan-3-yl)anilino]-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[5-[(3S)-3-hydroxyoxolan-3-yl]-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[5-[(3R)-3-hydroxyoxolan-3-yl]-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;methane is C.C.C.CC(C)(C)OC(=O)N1Cc2c(-c3cnc4cc(F)ccn34)ccc(Nc3ccc(C4(O)CCOC4)cc3)c2C1=O.CC(C)(C)OC(=O)N1Cc2c(-c3cnc4cc(F)ccn34)ccc(Nc3ccc([C@@]4(O)CCOC4)cn3)c2C1=O.CC(C)(C)OC(=O)N1Cc2c(-c3cnc4cc(F)ccn34)ccc(Nc3ccc([C@]4(O)CCOC4)cn3)c2C1=O.
What is the InChIKey of tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[4-(3-hydroxyoxolan-3-yl)anilino]-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[5-[(3S)-3-hydroxyoxolan-3-yl]-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[5-[(3R)-3-hydroxyoxolan-3-yl]-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;methane?
The InChIKey is BKGINVAUOLCTCF-PALOWYJCSA-N. The full InChI is InChI=1S/C30H29FN4O5.2C29H28FN5O5.3CH4/c1-29(2,3)40-28(37)35-16-22-21(24-15-32-25-14-19(31)10-12-34(24)25)8-9-23(26(22)27(35)36)33-20-6-4-18(5-7-20)30(38)11-13-39-17-30;2*1-28(2,3)40-27(37)35-15-20-19(22-14-32-24-12-18(30)8-10-34(22)24)5-6-21(25(20)26(35)36)33-23-7-4-17(13-31-23)29(38)9-11-39-16-29;;;/h4-10,12,14-15,33,38H,11,13,16-17H2,1-3H3;2*4-8,10,12-14,38H,9,11,15-16H2,1-3H3,(H,31,33);3*1H4/t;2*29-;;;/m.10.../s1.
What are the key properties of tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[4-(3-hydroxyoxolan-3-yl)anilino]-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[5-[(3S)-3-hydroxyoxolan-3-yl]-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[5-[(3R)-3-hydroxyoxolan-3-yl]-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;methane?
tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[4-(3-hydroxyoxolan-3-yl)anilino]-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[5-[(3S)-3-hydroxyoxolan-3-yl]-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[5-[(3R)-3-hydroxyoxolan-3-yl]-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;methane has a molecular weight of 1683.85 g/mol, XLogP of 16.85, 12 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[4-(3-hydroxyoxolan-3-yl)anilino]-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[5-[(3S)-3-hydroxyoxolan-3-yl]-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[5-[(3R)-3-hydroxyoxolan-3-yl]-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;methane is sourced from PubChem (CID 157375296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).