N-(2-methoxyethyl)-N-methyl-4-[[5-(1-methylidene-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;5-[8-[4-(4-propan-2-ylpiperazin-1-yl)-3-(trifluoromethyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;5-[8-[4-(1-propan-2-ylpiperidin-4-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one

C85H87F3N16O4 — CID 158117159

About N-(2-methoxyethyl)-N-methyl-4-[[5-(1-methylidene-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;5-[8-[4-(4-propan-2-ylpiperazin-1-yl)-3-(trifluoromethyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;5-[8-[4-(1-propan-2-ylpiperidin-4-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one

N-(2-methoxyethyl)-N-methyl-4-[[5-(1-methylidene-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;5-[8-[4-(4-propan-2-ylpiperazin-1-yl)-3-(trifluoromethyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;5-[8-[4-(1-propan-2-ylpiperidin-4-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one (PubChem CID 158117159) has the molecular formula C85H87F3N16O4 and a molecular weight of 1453.73 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-methyl-4-[[5-(1-methylidene-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;5-[8-[4-(4-propan-2-ylpiperazin-1-yl)-3-(trifluoromethyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;5-[8-[4-(1-propan-2-ylpiperidin-4-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one.

Molecular Properties

• Compound Name: N-(2-methoxyethyl)-N-methyl-4-[[5-(1-methylidene-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;5-[8-[4-(4-propan-2-ylpiperazin-1-yl)-3-(trifluoromethyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;5-[8-[4-(1-propan-2-ylpiperidin-4-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one
• PubChem CID: 158117159
• Molecular Formula: C85H87F3N16O4
• Molecular Weight: 1453.73 g/mol
• Exact Mass: 1452.70
• IUPAC Name: N-(2-methoxyethyl)-N-methyl-4-[[5-(1-methylidene-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;5-[8-[4-(4-propan-2-ylpiperazin-1-yl)-3-(trifluoromethyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;5-[8-[4-(1-propan-2-ylpiperidin-4-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one
• SMILES: C=C1NCc2cc(-c3ccc(Nc4ccc(C(=O)N(C)CCOC)cc4)c4nccn34)ccc21.CC(C)N1CCC(c2ccc(Nc3ccc(-c4ccc5c(c4)CNC5=O)n4ccnc34)cc2)CC1.CC(C)N1CCN(c2ccc(Nc3ccc(-c4ccc5c(c4)CNC5=O)n4ccnc34)cc2C(F)(F)F)CC1
• InChI: InChI=1S/C29H29F3N6O.C29H31N5O.C27H27N5O2/c1-18(2)36-11-13-37(14-12-36)26-7-4-21(16-23(26)29(30,31)32)35-24-6-8-25(38-10-9-33-27(24)38)19-3-5-22-20(15-19)17-34-28(22)39;1-19(2)33-14-11-21(12-15-33)20-3-6-24(7-4-20)32-26-9-10-27(34-16-13-30-28(26)34)22-5-8-25-23(17-22)18-31-29(25)35;1-18-23-9-6-20(16-21(23)17-29-18)25-11-10-24(26-28-12-13-32(25)26)30-22-7-4-19(5-8-22)27(33)31(2)14-15-34-3/h3-10,15-16,18,35H,11-14,17H2,1-2H3,(H,34,39);3-10,13,16-17,19,21,32H,11-12,14-15,18H2,1-2H3,(H,31,35);4-13,16,29-30H,1,14-15,17H2,2-3H3
• InChIKey: FRDPAGBJUQOZIN-UHFFFAOYSA-N
• XLogP: 15.65
• TPSA: 197.48 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 17
• Rotatable Bonds: 17
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1453.73
LogP ≤ 5	15.65
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-methyl-4-[[5-(1-methylidene-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;5-[8-[4-(4-propan-2-ylpiperazin-1-yl)-3-(trifluoromethyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;5-[8-[4-(1-propan-2-ylpiperidin-4-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one?

The IUPAC name of N-(2-methoxyethyl)-N-methyl-4-[[5-(1-methylidene-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;5-[8-[4-(4-propan-2-ylpiperazin-1-yl)-3-(trifluoromethyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;5-[8-[4-(1-propan-2-ylpiperidin-4-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one (CID 158117159) is N-(2-methoxyethyl)-N-methyl-4-[[5-(1-methylidene-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;5-[8-[4-(4-propan-2-ylpiperazin-1-yl)-3-(trifluoromethyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;5-[8-[4-(1-propan-2-ylpiperidin-4-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one.

What is the SMILES notation for N-(2-methoxyethyl)-N-methyl-4-[[5-(1-methylidene-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;5-[8-[4-(4-propan-2-ylpiperazin-1-yl)-3-(trifluoromethyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;5-[8-[4-(1-propan-2-ylpiperidin-4-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one?

The canonical SMILES for N-(2-methoxyethyl)-N-methyl-4-[[5-(1-methylidene-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;5-[8-[4-(4-propan-2-ylpiperazin-1-yl)-3-(trifluoromethyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;5-[8-[4-(1-propan-2-ylpiperidin-4-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one is C=C1NCc2cc(-c3ccc(Nc4ccc(C(=O)N(C)CCOC)cc4)c4nccn34)ccc21.CC(C)N1CCC(c2ccc(Nc3ccc(-c4ccc5c(c4)CNC5=O)n4ccnc34)cc2)CC1.CC(C)N1CCN(c2ccc(Nc3ccc(-c4ccc5c(c4)CNC5=O)n4ccnc34)cc2C(F)(F)F)CC1.

What is the InChIKey of N-(2-methoxyethyl)-N-methyl-4-[[5-(1-methylidene-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;5-[8-[4-(4-propan-2-ylpiperazin-1-yl)-3-(trifluoromethyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;5-[8-[4-(1-propan-2-ylpiperidin-4-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one?

The InChIKey is FRDPAGBJUQOZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29F3N6O.C29H31N5O.C27H27N5O2/c1-18(2)36-11-13-37(14-12-36)26-7-4-21(16-23(26)29(30,31)32)35-24-6-8-25(38-10-9-33-27(24)38)19-3-5-22-20(15-19)17-34-28(22)39;1-19(2)33-14-11-21(12-15-33)20-3-6-24(7-4-20)32-26-9-10-27(34-16-13-30-28(26)34)22-5-8-25-23(17-22)18-31-29(25)35;1-18-23-9-6-20(16-21(23)17-29-18)25-11-10-24(26-28-12-13-32(25)26)30-22-7-4-19(5-8-22)27(33)31(2)14-15-34-3/h3-10,15-16,18,35H,11-14,17H2,1-2H3,(H,34,39);3-10,13,16-17,19,21,32H,11-12,14-15,18H2,1-2H3,(H,31,35);4-13,16,29-30H,1,14-15,17H2,2-3H3.

What are the key properties of N-(2-methoxyethyl)-N-methyl-4-[[5-(1-methylidene-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;5-[8-[4-(4-propan-2-ylpiperazin-1-yl)-3-(trifluoromethyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;5-[8-[4-(1-propan-2-ylpiperidin-4-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one?

N-(2-methoxyethyl)-N-methyl-4-[[5-(1-methylidene-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;5-[8-[4-(4-propan-2-ylpiperazin-1-yl)-3-(trifluoromethyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;5-[8-[4-(1-propan-2-ylpiperidin-4-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one has a molecular weight of 1453.73 g/mol, XLogP of 15.65, 17 rotatable bonds, 6 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-methoxyethyl)-N-methyl-4-[[5-(1-methylidene-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;5-[8-[4-(4-propan-2-ylpiperazin-1-yl)-3-(trifluoromethyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;5-[8-[4-(1-propan-2-ylpiperidin-4-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 158117159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).