5-[8-[4-[4-(3-methylpiperidin-1-yl)piperidine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;N-(4-morpholin-4-ylphenyl)-5-quinoxalin-6-ylimidazo[1,2-a]pyridin-8-amine;5-[8-[4-(4-piperidin-1-ylpiperidine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one

C90H92N18O5 — CID 158712869

IUPAC5-[8-[4-[4-(3-methylpiperidin-1-yl)piperidine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;N-(4-morpholin-4-ylphenyl)-5-quinoxalin-6-ylimidazo[1,2-a]pyridin-8-amine;5-[8-[4-(4-piperidin-1-ylpiperidine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one
SMILESCC1CCCN(C2CCN(C(=O)c3ccc(Nc4ccc(-c5ccc6c(c5)CNC6=O)n5ccnc45)cc3)CC2)C1.O=C1NCc2cc(-c3ccc(Nc4ccc(C(=O)N5CCC(N6CCCCC6)CC5)cc4)c4nccn34)ccc21.c1cnc2cc(-c3ccc(Nc4ccc(N5CCOCC5)cc4)c4nccn34)ccc2n1
InChIInChI=1S/C33H36N6O2.C32H34N6O2.C25H22N6O/c1-22-3-2-15-38(21-22)27-12-16-37(17-13-27)33(41)23-4-7-26(8-5-23)36-29-10-11-30(39-18-14-34-31(29)39)24-6-9-28-25(19-24)20-35-32(28)40;39-31-27-9-6-23(20-24(27)21-34-31)29-11-10-28(30-33-14-19-38(29)30)35-25-7-4-22(5-8-25)32(40)37-17-12-26(13-18-37)36-15-2-1-3-16-36;1-6-21-23(27-10-9-26-21)17-18(1)24-8-7-22(25-28-11-12-31(24)25)29-19-2-4-20(5-3-19)30-13-15-32-16-14-30/h4-11,14,18-19,22,27,36H,2-3,12-13,15-17,20-21H2,1H3,(H,35,40);4-11,14,19-20,26,35H,1-3,12-13,15-18,21H2,(H,34,39);1-12,17,29H,13-16H2
InChIKeyIIYILRQAMXTNSC-UHFFFAOYSA-N
MW1505.85 g/mol
LogP14.93
Rot. Bonds14

About 5-[8-[4-[4-(3-methylpiperidin-1-yl)piperidine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;N-(4-morpholin-4-ylphenyl)-5-quinoxalin-6-ylimidazo[1,2-a]pyridin-8-amine;5-[8-[4-(4-piperidin-1-ylpiperidine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one

5-[8-[4-[4-(3-methylpiperidin-1-yl)piperidine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;N-(4-morpholin-4-ylphenyl)-5-quinoxalin-6-ylimidazo[1,2-a]pyridin-8-amine;5-[8-[4-(4-piperidin-1-ylpiperidine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one (PubChem CID 158712869) has the molecular formula C90H92N18O5 and a molecular weight of 1505.85 g/mol. Its IUPAC name is 5-[8-[4-[4-(3-methylpiperidin-1-yl)piperidine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;N-(4-morpholin-4-ylphenyl)-5-quinoxalin-6-ylimidazo[1,2-a]pyridin-8-amine;5-[8-[4-(4-piperidin-1-ylpiperidine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name5-[8-[4-[4-(3-methylpiperidin-1-yl)piperidine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;N-(4-morpholin-4-ylphenyl)-5-quinoxalin-6-ylimidazo[1,2-a]pyridin-8-amine;5-[8-[4-(4-piperidin-1-ylpiperidine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one
PubChem CID158712869
Molecular FormulaC90H92N18O5
Molecular Weight1505.85 g/mol
Exact Mass1504.75
IUPAC Name5-[8-[4-[4-(3-methylpiperidin-1-yl)piperidine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;N-(4-morpholin-4-ylphenyl)-5-quinoxalin-6-ylimidazo[1,2-a]pyridin-8-amine;5-[8-[4-(4-piperidin-1-ylpiperidine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one
SMILESCC1CCCN(C2CCN(C(=O)c3ccc(Nc4ccc(-c5ccc6c(c5)CNC6=O)n5ccnc45)cc3)CC2)C1.O=C1NCc2cc(-c3ccc(Nc4ccc(C(=O)N5CCC(N6CCCCC6)CC5)cc4)c4nccn34)ccc21.c1cnc2cc(-c3ccc(Nc4ccc(N5CCOCC5)cc4)c4nccn34)ccc2n1
InChIInChI=1S/C33H36N6O2.C32H34N6O2.C25H22N6O/c1-22-3-2-15-38(21-22)27-12-16-37(17-13-27)33(41)23-4-7-26(8-5-23)36-29-10-11-30(39-18-14-34-31(29)39)24-6-9-28-25(19-24)20-35-32(28)40;39-31-27-9-6-23(20-24(27)21-34-31)29-11-10-28(30-33-14-19-38(29)30)35-25-7-4-22(5-8-25)32(40)37-17-12-26(13-18-37)36-15-2-1-3-16-36;1-6-21-23(27-10-9-26-21)17-18(1)24-8-7-22(25-28-11-12-31(24)25)29-19-2-4-20(5-3-19)30-13-15-32-16-14-30/h4-11,14,18-19,22,27,36H,2-3,12-13,15-17,20-21H2,1H3,(H,35,40);4-11,14,19-20,26,35H,1-3,12-13,15-18,21H2,(H,34,39);1-12,17,29H,13-16H2
InChIKeyIIYILRQAMXTNSC-UHFFFAOYSA-N
XLogP14.93
TPSA231.54 Ų
H-Bond Donors5
H-Bond Acceptors19
Rotatable Bonds14
Heavy Atoms113
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001505.85
LogP ≤ 514.93
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze 5-[8-[4-[4-(3-methylpiperidin-1-yl)piperidine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;N-(4-morpholin-4-ylphenyl)-5-quinoxalin-6-ylimidazo[1,2-a]pyridin-8-amine;5-[8-[4-(4-piperidin-1-ylpiperidine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one with MolForge

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Related Compounds

3-(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-2-(4-morpholin-4-ylpiperidin-1-yl)quinoxaline-6-carboxamide
CID 118454056
2-methyl-1-[5-[3-[(2-methyl-3H-benzimidazole-5-carbonyl)amino]phenyl]-2-pyridinyl]-N-(3-morpholin-4-ylpropyl)benzimidazole-5-carboxamide
CID 137639511
US20250346592, Example 245
CID 170344323
[(1R,4R,7R)-7-[[2-[5-[(3R)-3-aminopiperidine-1-carbonyl]-1-ethyl-7-fluorobenzimidazol-2-yl]-1-ethylpyrrolo[2,3-b]pyridin-6-yl]amino]-2-azabicyclo[2.2.1]heptan-2-yl]-[2-(1-ethylpyrrolo[2,3-b]pyridin-2-yl)-1-methylbenzimidazol-5-yl]methanone
CID 129230112
N-[4-methyl-3-[8-[(3R)-3-[[6-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]morpholin-4-yl]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 130425569
3-[7-(difluoromethyl)-6-[1-[2-[[3-[6-[1-methyl-5-[[4-[2-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyrazol-1-yl]methyl]pyrazol-4-yl]-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)indazole-5-carbonyl]amino]ethyl]pyrazol-4-yl]-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)indazole-5-carboxamide
CID 132181733
N-[3-[5-[6-[4-[4-amino-3-[2-cyano-5-[6-[4-(4-piperidin-4-ylpiperazine-1-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]piperidine-1-carbonyl]phenyl]imidazo[1,2-a]pyridin-3-yl]-2-cyanophenyl]-1-[4-[(3Z)-4-[5-(4-cyanophenyl)-1-methylimidazol-2-yl]buta-1,3-dien-2-yl]benzoyl]piperidin-4-yl]-2,2,2-trifluoroacetamide
CID 134505018
4-[1-[[6-[2-(dimethylamino)propan-2-yl]-4-[6-[[7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-oxo-1,2-dihydroisoindol-4-yl]amino]-3-pyridinyl]morpholin-3-yl]methyl]pyrrolo[2,3-b]pyridin-4-yl]-7-[[5-[(4S)-1-methyl-2-oxopiperidin-4-yl]-2-pyridinyl]amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
CID 156166357
7-[[6-[(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-2-pyridinyl]amino]-4-[1-[2-[[(2S)-4-[6-[[7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-oxo-1,2-dihydroisoindol-4-yl]amino]-3-pyridinyl]morpholin-2-yl]methoxy]ethyl]pyrrolo[2,3-b]pyridin-4-yl]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
CID 156166437
4-[1-[[(6S)-6-[2-(dimethylamino)propan-2-yl]-4-[6-[[7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-oxo-1,2-dihydroisoindol-4-yl]amino]-3-pyridinyl]morpholin-3-yl]methyl]pyrrolo[2,3-b]pyridin-4-yl]-7-[[6-methyl-5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
CID 156166601
4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(1S)-2-[7-fluoro-3-[7-[[5-[(1R)-1-morpholin-4-ylethyl]-2-pyridinyl]amino]-1-oxo-2,3-dihydroisoindol-4-yl]imidazo[1,2-a]pyridin-8-yl]-1-morpholin-4-ylethyl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one
CID 156418516
7-[[6-[1-[7-Fluoro-3-[7-[[5-(4-methyl-4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]amino]-1-oxo-2,3-dihydroisoindol-4-yl]imidazo[1,2-a]pyridin-4-ium-1-yl]-4-methylpiperidin-4-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
CID 156651535

Frequently Asked Questions

What is the IUPAC name of 5-[8-[4-[4-(3-methylpiperidin-1-yl)piperidine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;N-(4-morpholin-4-ylphenyl)-5-quinoxalin-6-ylimidazo[1,2-a]pyridin-8-amine;5-[8-[4-(4-piperidin-1-ylpiperidine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one?
The IUPAC name of 5-[8-[4-[4-(3-methylpiperidin-1-yl)piperidine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;N-(4-morpholin-4-ylphenyl)-5-quinoxalin-6-ylimidazo[1,2-a]pyridin-8-amine;5-[8-[4-(4-piperidin-1-ylpiperidine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one (CID 158712869) is 5-[8-[4-[4-(3-methylpiperidin-1-yl)piperidine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;N-(4-morpholin-4-ylphenyl)-5-quinoxalin-6-ylimidazo[1,2-a]pyridin-8-amine;5-[8-[4-(4-piperidin-1-ylpiperidine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 5-[8-[4-[4-(3-methylpiperidin-1-yl)piperidine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;N-(4-morpholin-4-ylphenyl)-5-quinoxalin-6-ylimidazo[1,2-a]pyridin-8-amine;5-[8-[4-(4-piperidin-1-ylpiperidine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one?
The canonical SMILES for 5-[8-[4-[4-(3-methylpiperidin-1-yl)piperidine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;N-(4-morpholin-4-ylphenyl)-5-quinoxalin-6-ylimidazo[1,2-a]pyridin-8-amine;5-[8-[4-(4-piperidin-1-ylpiperidine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one is CC1CCCN(C2CCN(C(=O)c3ccc(Nc4ccc(-c5ccc6c(c5)CNC6=O)n5ccnc45)cc3)CC2)C1.O=C1NCc2cc(-c3ccc(Nc4ccc(C(=O)N5CCC(N6CCCCC6)CC5)cc4)c4nccn34)ccc21.c1cnc2cc(-c3ccc(Nc4ccc(N5CCOCC5)cc4)c4nccn34)ccc2n1.
What is the InChIKey of 5-[8-[4-[4-(3-methylpiperidin-1-yl)piperidine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;N-(4-morpholin-4-ylphenyl)-5-quinoxalin-6-ylimidazo[1,2-a]pyridin-8-amine;5-[8-[4-(4-piperidin-1-ylpiperidine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one?
The InChIKey is IIYILRQAMXTNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36N6O2.C32H34N6O2.C25H22N6O/c1-22-3-2-15-38(21-22)27-12-16-37(17-13-27)33(41)23-4-7-26(8-5-23)36-29-10-11-30(39-18-14-34-31(29)39)24-6-9-28-25(19-24)20-35-32(28)40;39-31-27-9-6-23(20-24(27)21-34-31)29-11-10-28(30-33-14-19-38(29)30)35-25-7-4-22(5-8-25)32(40)37-17-12-26(13-18-37)36-15-2-1-3-16-36;1-6-21-23(27-10-9-26-21)17-18(1)24-8-7-22(25-28-11-12-31(24)25)29-19-2-4-20(5-3-19)30-13-15-32-16-14-30/h4-11,14,18-19,22,27,36H,2-3,12-13,15-17,20-21H2,1H3,(H,35,40);4-11,14,19-20,26,35H,1-3,12-13,15-18,21H2,(H,34,39);1-12,17,29H,13-16H2.
What are the key properties of 5-[8-[4-[4-(3-methylpiperidin-1-yl)piperidine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;N-(4-morpholin-4-ylphenyl)-5-quinoxalin-6-ylimidazo[1,2-a]pyridin-8-amine;5-[8-[4-(4-piperidin-1-ylpiperidine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one?
5-[8-[4-[4-(3-methylpiperidin-1-yl)piperidine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;N-(4-morpholin-4-ylphenyl)-5-quinoxalin-6-ylimidazo[1,2-a]pyridin-8-amine;5-[8-[4-(4-piperidin-1-ylpiperidine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one has a molecular weight of 1505.85 g/mol, XLogP of 14.93, 14 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-[4-[4-(3-methylpiperidin-1-yl)piperidine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;N-(4-morpholin-4-ylphenyl)-5-quinoxalin-6-ylimidazo[1,2-a]pyridin-8-amine;5-[8-[4-(4-piperidin-1-ylpiperidine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 158712869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).