5-[8-[4-(benzenesulfonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;5-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;5-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one

C81H73N15O7S — CID 157156202

About 5-[8-[4-(benzenesulfonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;5-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;5-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one

5-[8-[4-(benzenesulfonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;5-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;5-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one (PubChem CID 157156202) has the molecular formula C81H73N15O7S and a molecular weight of 1400.64 g/mol. Its IUPAC name is 5-[8-[4-(benzenesulfonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;5-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;5-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one.

Molecular Properties

• Compound Name: 5-[8-[4-(benzenesulfonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;5-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;5-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one
• PubChem CID: 157156202
• Molecular Formula: C81H73N15O7S
• Molecular Weight: 1400.64 g/mol
• Exact Mass: 1399.55
• IUPAC Name: 5-[8-[4-(benzenesulfonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;5-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;5-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one
• SMILES: CC(C)N1CCN(c2ccc(Nc3ccc(-c4ccc5c(c4)CNC5=O)n4ccnc34)cc2)CC1.O=C1NCc2cc(-c3ccc(Nc4ccc(C(=O)N5CCOCC5)cc4)c4nccn34)ccc21.O=C1NCc2cc(-c3ccc(Nc4ccc(S(=O)(=O)c5ccccc5)cc4)c4nccn34)ccc21
• InChI: InChI=1S/C28H30N6O.C27H20N4O3S.C26H23N5O3/c1-19(2)32-13-15-33(16-14-32)23-6-4-22(5-7-23)31-25-9-10-26(34-12-11-29-27(25)34)20-3-8-24-21(17-20)18-30-28(24)35;32-27-23-11-6-18(16-19(23)17-29-27)25-13-12-24(26-28-14-15-31(25)26)30-20-7-9-22(10-8-20)35(33,34)21-4-2-1-3-5-21;32-25-21-6-3-18(15-19(21)16-28-25)23-8-7-22(24-27-9-10-31(23)24)29-20-4-1-17(2-5-20)26(33)30-11-13-34-14-12-30/h3-12,17,19,31H,13-16,18H2,1-2H3,(H,30,35);1-16,30H,17H2,(H,29,32);1-10,15,29H,11-14,16H2,(H,28,32)
• InChIKey: ALVJNAGPIUIACS-UHFFFAOYSA-N
• XLogP: 12.80
• TPSA: 245.45 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 18
• Rotatable Bonds: 14
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1400.64
LogP ≤ 5	12.80
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[8-[4-(benzenesulfonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;5-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;5-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one?

The IUPAC name of 5-[8-[4-(benzenesulfonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;5-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;5-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one (CID 157156202) is 5-[8-[4-(benzenesulfonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;5-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;5-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one.

What is the SMILES notation for 5-[8-[4-(benzenesulfonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;5-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;5-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one?

The canonical SMILES for 5-[8-[4-(benzenesulfonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;5-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;5-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one is CC(C)N1CCN(c2ccc(Nc3ccc(-c4ccc5c(c4)CNC5=O)n4ccnc34)cc2)CC1.O=C1NCc2cc(-c3ccc(Nc4ccc(C(=O)N5CCOCC5)cc4)c4nccn34)ccc21.O=C1NCc2cc(-c3ccc(Nc4ccc(S(=O)(=O)c5ccccc5)cc4)c4nccn34)ccc21.

What is the InChIKey of 5-[8-[4-(benzenesulfonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;5-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;5-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one?

The InChIKey is ALVJNAGPIUIACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N6O.C27H20N4O3S.C26H23N5O3/c1-19(2)32-13-15-33(16-14-32)23-6-4-22(5-7-23)31-25-9-10-26(34-12-11-29-27(25)34)20-3-8-24-21(17-20)18-30-28(24)35;32-27-23-11-6-18(16-19(23)17-29-27)25-13-12-24(26-28-14-15-31(25)26)30-20-7-9-22(10-8-20)35(33,34)21-4-2-1-3-5-21;32-25-21-6-3-18(15-19(21)16-28-25)23-8-7-22(24-27-9-10-31(23)24)29-20-4-1-17(2-5-20)26(33)30-11-13-34-14-12-30/h3-12,17,19,31H,13-16,18H2,1-2H3,(H,30,35);1-16,30H,17H2,(H,29,32);1-10,15,29H,11-14,16H2,(H,28,32).

What are the key properties of 5-[8-[4-(benzenesulfonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;5-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;5-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one?

5-[8-[4-(benzenesulfonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;5-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;5-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one has a molecular weight of 1400.64 g/mol, XLogP of 12.80, 14 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[8-[4-(benzenesulfonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;5-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;5-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 157156202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).