N-[[4-(dimethylamino)phenyl]methyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzenesulfonamide;4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-[(3-pyrrol-1-ylphenyl)methyl]benzamide;5-[8-[4-(2-pyrrolidin-3-ylacetyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one

C90H79N17O7S — CID 158991214

About N-[[4-(dimethylamino)phenyl]methyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzenesulfonamide;4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-[(3-pyrrol-1-ylphenyl)methyl]benzamide;5-[8-[4-(2-pyrrolidin-3-ylacetyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one

N-[[4-(dimethylamino)phenyl]methyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzenesulfonamide;4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-[(3-pyrrol-1-ylphenyl)methyl]benzamide;5-[8-[4-(2-pyrrolidin-3-ylacetyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one (PubChem CID 158991214) has the molecular formula C90H79N17O7S and a molecular weight of 1542.80 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzenesulfonamide;4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-[(3-pyrrol-1-ylphenyl)methyl]benzamide;5-[8-[4-(2-pyrrolidin-3-ylacetyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one.

Molecular Properties

• Compound Name: N-[[4-(dimethylamino)phenyl]methyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzenesulfonamide;4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-[(3-pyrrol-1-ylphenyl)methyl]benzamide;5-[8-[4-(2-pyrrolidin-3-ylacetyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one
• PubChem CID: 158991214
• Molecular Formula: C90H79N17O7S
• Molecular Weight: 1542.80 g/mol
• Exact Mass: 1541.61
• IUPAC Name: N-[[4-(dimethylamino)phenyl]methyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzenesulfonamide;4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-[(3-pyrrol-1-ylphenyl)methyl]benzamide;5-[8-[4-(2-pyrrolidin-3-ylacetyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one
• SMILES: CN(C)c1ccc(CNS(=O)(=O)c2ccc(Nc3ccc(-c4ccc5c(c4)CNC5=O)n4ccnc34)cc2)cc1.O=C(CC1CCNC1)c1ccc(Nc2ccc(-c3ccc4c(c3)CNC4=O)n3ccnc23)cc1.O=C(NCc1cccc(-n2cccc2)c1)c1ccc(Nc2ccc(-c3ccc4c(c3)CNC4=O)n3ccnc23)cc1
• InChI: InChI=1S/C33H26N6O2.C30H28N6O3S.C27H25N5O2/c40-32(35-20-22-4-3-5-27(18-22)38-15-1-2-16-38)23-6-9-26(10-7-23)37-29-12-13-30(39-17-14-34-31(29)39)24-8-11-28-25(19-24)21-36-33(28)41;1-35(2)24-8-3-20(4-9-24)18-33-40(38,39)25-10-6-23(7-11-25)34-27-13-14-28(36-16-15-31-29(27)36)21-5-12-26-22(17-21)19-32-30(26)37;33-25(13-17-9-10-28-15-17)18-1-4-21(5-2-18)31-23-7-8-24(32-12-11-29-26(23)32)19-3-6-22-20(14-19)16-30-27(22)34/h1-19,37H,20-21H2,(H,35,40)(H,36,41);3-17,33-34H,18-19H2,1-2H3,(H,32,37);1-8,11-12,14,17,28,31H,9-10,13,15-16H2,(H,30,34)
• InChIKey: JQEJGOZSHBBNGG-UHFFFAOYSA-N
• XLogP: 14.41
• TPSA: 287.83 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 19
• Rotatable Bonds: 21
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1542.80
LogP ≤ 5	14.41
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzenesulfonamide;4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-[(3-pyrrol-1-ylphenyl)methyl]benzamide;5-[8-[4-(2-pyrrolidin-3-ylacetyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one?

The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzenesulfonamide;4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-[(3-pyrrol-1-ylphenyl)methyl]benzamide;5-[8-[4-(2-pyrrolidin-3-ylacetyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one (CID 158991214) is N-[[4-(dimethylamino)phenyl]methyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzenesulfonamide;4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-[(3-pyrrol-1-ylphenyl)methyl]benzamide;5-[8-[4-(2-pyrrolidin-3-ylacetyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one.

What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzenesulfonamide;4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-[(3-pyrrol-1-ylphenyl)methyl]benzamide;5-[8-[4-(2-pyrrolidin-3-ylacetyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one?

The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzenesulfonamide;4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-[(3-pyrrol-1-ylphenyl)methyl]benzamide;5-[8-[4-(2-pyrrolidin-3-ylacetyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one is CN(C)c1ccc(CNS(=O)(=O)c2ccc(Nc3ccc(-c4ccc5c(c4)CNC5=O)n4ccnc34)cc2)cc1.O=C(CC1CCNC1)c1ccc(Nc2ccc(-c3ccc4c(c3)CNC4=O)n3ccnc23)cc1.O=C(NCc1cccc(-n2cccc2)c1)c1ccc(Nc2ccc(-c3ccc4c(c3)CNC4=O)n3ccnc23)cc1.

What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzenesulfonamide;4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-[(3-pyrrol-1-ylphenyl)methyl]benzamide;5-[8-[4-(2-pyrrolidin-3-ylacetyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one?

The InChIKey is JQEJGOZSHBBNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H26N6O2.C30H28N6O3S.C27H25N5O2/c40-32(35-20-22-4-3-5-27(18-22)38-15-1-2-16-38)23-6-9-26(10-7-23)37-29-12-13-30(39-17-14-34-31(29)39)24-8-11-28-25(19-24)21-36-33(28)41;1-35(2)24-8-3-20(4-9-24)18-33-40(38,39)25-10-6-23(7-11-25)34-27-13-14-28(36-16-15-31-29(27)36)21-5-12-26-22(17-21)19-32-30(26)37;33-25(13-17-9-10-28-15-17)18-1-4-21(5-2-18)31-23-7-8-24(32-12-11-29-26(23)32)19-3-6-22-20(14-19)16-30-27(22)34/h1-19,37H,20-21H2,(H,35,40)(H,36,41);3-17,33-34H,18-19H2,1-2H3,(H,32,37);1-8,11-12,14,17,28,31H,9-10,13,15-16H2,(H,30,34).

What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzenesulfonamide;4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-[(3-pyrrol-1-ylphenyl)methyl]benzamide;5-[8-[4-(2-pyrrolidin-3-ylacetyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one?

N-[[4-(dimethylamino)phenyl]methyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzenesulfonamide;4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-[(3-pyrrol-1-ylphenyl)methyl]benzamide;5-[8-[4-(2-pyrrolidin-3-ylacetyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one has a molecular weight of 1542.80 g/mol, XLogP of 14.41, 21 rotatable bonds, 9 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-(dimethylamino)phenyl]methyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzenesulfonamide;4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-[(3-pyrrol-1-ylphenyl)methyl]benzamide;5-[8-[4-(2-pyrrolidin-3-ylacetyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 158991214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).