5-[8-[4-(4-butan-2-ylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;4-[4-[[5-(1-methylindol-4-yl)imidazo[1,2-a]pyridin-8-yl]methyl]phenyl]morpholine;5-[8-[[4-[3-(3-oxobutan-2-yl)pyrrolidine-1-carbonyl]phenyl]methyl]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroinden-1-one

C89H89N13O6 — CID 160969734

About 5-[8-[4-(4-butan-2-ylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;4-[4-[[5-(1-methylindol-4-yl)imidazo[1,2-a]pyridin-8-yl]methyl]phenyl]morpholine;5-[8-[[4-[3-(3-oxobutan-2-yl)pyrrolidine-1-carbonyl]phenyl]methyl]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroinden-1-one

5-[8-[4-(4-butan-2-ylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;4-[4-[[5-(1-methylindol-4-yl)imidazo[1,2-a]pyridin-8-yl]methyl]phenyl]morpholine;5-[8-[[4-[3-(3-oxobutan-2-yl)pyrrolidine-1-carbonyl]phenyl]methyl]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroinden-1-one (PubChem CID 160969734) has the molecular formula C89H89N13O6 and a molecular weight of 1436.78 g/mol. Its IUPAC name is 5-[8-[4-(4-butan-2-ylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;4-[4-[[5-(1-methylindol-4-yl)imidazo[1,2-a]pyridin-8-yl]methyl]phenyl]morpholine;5-[8-[[4-[3-(3-oxobutan-2-yl)pyrrolidine-1-carbonyl]phenyl]methyl]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroinden-1-one.

Molecular Properties

• Compound Name: 5-[8-[4-(4-butan-2-ylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;4-[4-[[5-(1-methylindol-4-yl)imidazo[1,2-a]pyridin-8-yl]methyl]phenyl]morpholine;5-[8-[[4-[3-(3-oxobutan-2-yl)pyrrolidine-1-carbonyl]phenyl]methyl]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroinden-1-one
• PubChem CID: 160969734
• Molecular Formula: C89H89N13O6
• Molecular Weight: 1436.78 g/mol
• Exact Mass: 1435.71
• IUPAC Name: 5-[8-[4-(4-butan-2-ylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;4-[4-[[5-(1-methylindol-4-yl)imidazo[1,2-a]pyridin-8-yl]methyl]phenyl]morpholine;5-[8-[[4-[3-(3-oxobutan-2-yl)pyrrolidine-1-carbonyl]phenyl]methyl]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroinden-1-one
• SMILES: CC(=O)C(C)C1CCN(C(=O)c2ccc(Cc3ccc(-c4ccc5c(c4)CCC5=O)n4ccnc34)cc2)C1.CCC(C)N1CCN(C(=O)c2ccc(Nc3ccc(-c4ccc5c(c4)CNC5=O)n4ccnc34)cc2)CC1.Cn1ccc2c(-c3ccc(Cc4ccc(N5CCOCC5)cc4)c4nccn34)cccc21
• InChI: InChI=1S/C32H31N3O3.C30H32N6O2.C27H26N4O/c1-20(21(2)36)27-13-15-34(19-27)32(38)23-5-3-22(4-6-23)17-26-8-11-29(35-16-14-33-31(26)35)25-7-10-28-24(18-25)9-12-30(28)37;1-3-20(2)34-14-16-35(17-15-34)30(38)21-4-7-24(8-5-21)33-26-10-11-27(36-13-12-31-28(26)36)22-6-9-25-23(18-22)19-32-29(25)37;1-29-13-11-24-23(3-2-4-25(24)29)26-10-7-21(27-28-12-14-31(26)27)19-20-5-8-22(9-6-20)30-15-17-32-18-16-30/h3-8,10-11,14,16,18,20,27H,9,12-13,15,17,19H2,1-2H3;4-13,18,20,33H,3,14-17,19H2,1-2H3,(H,32,37);2-14H,15-19H2,1H3
• InChIKey: SYCCMZYJRYHFQY-UHFFFAOYSA-N
• XLogP: 14.87
• TPSA: 188.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 16
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1436.78
LogP ≤ 5	14.87
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[8-[4-(4-butan-2-ylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;4-[4-[[5-(1-methylindol-4-yl)imidazo[1,2-a]pyridin-8-yl]methyl]phenyl]morpholine;5-[8-[[4-[3-(3-oxobutan-2-yl)pyrrolidine-1-carbonyl]phenyl]methyl]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroinden-1-one?

The IUPAC name of 5-[8-[4-(4-butan-2-ylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;4-[4-[[5-(1-methylindol-4-yl)imidazo[1,2-a]pyridin-8-yl]methyl]phenyl]morpholine;5-[8-[[4-[3-(3-oxobutan-2-yl)pyrrolidine-1-carbonyl]phenyl]methyl]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroinden-1-one (CID 160969734) is 5-[8-[4-(4-butan-2-ylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;4-[4-[[5-(1-methylindol-4-yl)imidazo[1,2-a]pyridin-8-yl]methyl]phenyl]morpholine;5-[8-[[4-[3-(3-oxobutan-2-yl)pyrrolidine-1-carbonyl]phenyl]methyl]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroinden-1-one.

What is the SMILES notation for 5-[8-[4-(4-butan-2-ylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;4-[4-[[5-(1-methylindol-4-yl)imidazo[1,2-a]pyridin-8-yl]methyl]phenyl]morpholine;5-[8-[[4-[3-(3-oxobutan-2-yl)pyrrolidine-1-carbonyl]phenyl]methyl]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroinden-1-one?

The canonical SMILES for 5-[8-[4-(4-butan-2-ylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;4-[4-[[5-(1-methylindol-4-yl)imidazo[1,2-a]pyridin-8-yl]methyl]phenyl]morpholine;5-[8-[[4-[3-(3-oxobutan-2-yl)pyrrolidine-1-carbonyl]phenyl]methyl]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroinden-1-one is CC(=O)C(C)C1CCN(C(=O)c2ccc(Cc3ccc(-c4ccc5c(c4)CCC5=O)n4ccnc34)cc2)C1.CCC(C)N1CCN(C(=O)c2ccc(Nc3ccc(-c4ccc5c(c4)CNC5=O)n4ccnc34)cc2)CC1.Cn1ccc2c(-c3ccc(Cc4ccc(N5CCOCC5)cc4)c4nccn34)cccc21.

What is the InChIKey of 5-[8-[4-(4-butan-2-ylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;4-[4-[[5-(1-methylindol-4-yl)imidazo[1,2-a]pyridin-8-yl]methyl]phenyl]morpholine;5-[8-[[4-[3-(3-oxobutan-2-yl)pyrrolidine-1-carbonyl]phenyl]methyl]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroinden-1-one?

The InChIKey is SYCCMZYJRYHFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31N3O3.C30H32N6O2.C27H26N4O/c1-20(21(2)36)27-13-15-34(19-27)32(38)23-5-3-22(4-6-23)17-26-8-11-29(35-16-14-33-31(26)35)25-7-10-28-24(18-25)9-12-30(28)37;1-3-20(2)34-14-16-35(17-15-34)30(38)21-4-7-24(8-5-21)33-26-10-11-27(36-13-12-31-28(26)36)22-6-9-25-23(18-22)19-32-29(25)37;1-29-13-11-24-23(3-2-4-25(24)29)26-10-7-21(27-28-12-14-31(26)27)19-20-5-8-22(9-6-20)30-15-17-32-18-16-30/h3-8,10-11,14,16,18,20,27H,9,12-13,15,17,19H2,1-2H3;4-13,18,20,33H,3,14-17,19H2,1-2H3,(H,32,37);2-14H,15-19H2,1H3.

What are the key properties of 5-[8-[4-(4-butan-2-ylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;4-[4-[[5-(1-methylindol-4-yl)imidazo[1,2-a]pyridin-8-yl]methyl]phenyl]morpholine;5-[8-[[4-[3-(3-oxobutan-2-yl)pyrrolidine-1-carbonyl]phenyl]methyl]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroinden-1-one?

5-[8-[4-(4-butan-2-ylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;4-[4-[[5-(1-methylindol-4-yl)imidazo[1,2-a]pyridin-8-yl]methyl]phenyl]morpholine;5-[8-[[4-[3-(3-oxobutan-2-yl)pyrrolidine-1-carbonyl]phenyl]methyl]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroinden-1-one has a molecular weight of 1436.78 g/mol, XLogP of 14.87, 16 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[8-[4-(4-butan-2-ylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;4-[4-[[5-(1-methylindol-4-yl)imidazo[1,2-a]pyridin-8-yl]methyl]phenyl]morpholine;5-[8-[[4-[3-(3-oxobutan-2-yl)pyrrolidine-1-carbonyl]phenyl]methyl]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroinden-1-one is sourced from PubChem (CID 160969734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).