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

C135H124F5N25O21 — CID 162179649

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

tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[5-(3-hydroxyoxolan-3-yl)-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;bis(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);4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(3R)-3-hydroxyoxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(3S)-3-hydroxyoxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one (PubChem CID 162179649) has the molecular formula C135H124F5N25O21 and a molecular weight of 2527.62 g/mol. Its IUPAC name is tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[5-(3-hydroxyoxolan-3-yl)-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;bis(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);4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(3R)-3-hydroxyoxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(3S)-3-hydroxyoxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one.

Molecular Properties

• Compound Name: tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[5-(3-hydroxyoxolan-3-yl)-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;bis(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);4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(3R)-3-hydroxyoxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(3S)-3-hydroxyoxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one
• PubChem CID: 162179649
• Molecular Formula: C135H124F5N25O21
• Molecular Weight: 2527.62 g/mol
• Exact Mass: 2525.93
• IUPAC Name: tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[5-(3-hydroxyoxolan-3-yl)-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;bis(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);4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(3R)-3-hydroxyoxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(3S)-3-hydroxyoxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one
• SMILES: CC(C)(C)OC(=O)N1Cc2c(-c3cnc4cc(F)ccn34)ccc(Nc3ccc(C4(O)CCOC4)cn3)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.O=C1NCc2c(-c3cnc4cc(F)ccn34)ccc(Nc3ccc([C@@]4(O)CCOC4)cn3)c21.O=C1NCc2c(-c3cnc4cc(F)ccn34)ccc(Nc3ccc([C@]4(O)CCOC4)cn3)c21
• InChI: InChI=1S/3C29H28FN5O5.2C24H20FN5O3/c3*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;2*25-15-5-7-30-19(12-27-21(30)9-15)16-2-3-18(22-17(16)11-28-23(22)31)29-20-4-1-14(10-26-20)24(32)6-8-33-13-24/h3*4-8,10,12-14,38H,9,11,15-16H2,1-3H3,(H,31,33);2*1-5,7,9-10,12,32H,6,8,11,13H2,(H,26,29)(H,28,31)/t2*29-;;2*24-/m00.10/s1
• InChIKey: ZOVSBQXVLGOCQX-PVWXRRCZSA-N
• XLogP: 20.59
• TPSA: 556.43 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 41
• Rotatable Bonds: 20
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2527.62
LogP ≤ 5	20.59
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[5-(3-hydroxyoxolan-3-yl)-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;bis(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);4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(3R)-3-hydroxyoxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(3S)-3-hydroxyoxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one?

The IUPAC name of tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[5-(3-hydroxyoxolan-3-yl)-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;bis(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);4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(3R)-3-hydroxyoxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(3S)-3-hydroxyoxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one (CID 162179649) is tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[5-(3-hydroxyoxolan-3-yl)-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;bis(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);4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(3R)-3-hydroxyoxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(3S)-3-hydroxyoxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one.

What is the SMILES notation for tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[5-(3-hydroxyoxolan-3-yl)-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;bis(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);4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(3R)-3-hydroxyoxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(3S)-3-hydroxyoxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one?

The canonical SMILES for tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[5-(3-hydroxyoxolan-3-yl)-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;bis(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);4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(3R)-3-hydroxyoxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(3S)-3-hydroxyoxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one is CC(C)(C)OC(=O)N1Cc2c(-c3cnc4cc(F)ccn34)ccc(Nc3ccc(C4(O)CCOC4)cn3)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.O=C1NCc2c(-c3cnc4cc(F)ccn34)ccc(Nc3ccc([C@@]4(O)CCOC4)cn3)c21.O=C1NCc2c(-c3cnc4cc(F)ccn34)ccc(Nc3ccc([C@]4(O)CCOC4)cn3)c21.

What is the InChIKey of tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[5-(3-hydroxyoxolan-3-yl)-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;bis(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);4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(3R)-3-hydroxyoxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(3S)-3-hydroxyoxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one?

The InChIKey is ZOVSBQXVLGOCQX-PVWXRRCZSA-N. The full InChI is InChI=1S/3C29H28FN5O5.2C24H20FN5O3/c3*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;2*25-15-5-7-30-19(12-27-21(30)9-15)16-2-3-18(22-17(16)11-28-23(22)31)29-20-4-1-14(10-26-20)24(32)6-8-33-13-24/h3*4-8,10,12-14,38H,9,11,15-16H2,1-3H3,(H,31,33);2*1-5,7,9-10,12,32H,6,8,11,13H2,(H,26,29)(H,28,31)/t2*29-;;2*24-/m00.10/s1.

What are the key properties of tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[5-(3-hydroxyoxolan-3-yl)-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;bis(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);4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(3R)-3-hydroxyoxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(3S)-3-hydroxyoxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one?

tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[5-(3-hydroxyoxolan-3-yl)-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;bis(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);4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(3R)-3-hydroxyoxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(3S)-3-hydroxyoxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one has a molecular weight of 2527.62 g/mol, XLogP of 20.59, 20 rotatable bonds, 12 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[5-(3-hydroxyoxolan-3-yl)-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;bis(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);4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(3R)-3-hydroxyoxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(3S)-3-hydroxyoxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 162179649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).