N-[2-(dimethylamino)ethyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;1-[3-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]phenyl]ethanone;5-[8-[4-(1-propan-2-ylpiperidin-4-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one

C83H88N16O4 — CID 158565739

IUPACN-[2-(dimethylamino)ethyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;1-[3-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]phenyl]ethanone;5-[8-[4-(1-propan-2-ylpiperidin-4-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one
SMILESCC(=O)c1cccc(-c2ccc(Nc3ccc(N4CCN(C(C)C)CC4)cc3)c3nccn23)c1.CC(C)N1CCC(c2ccc(Nc3ccc(-c4ccc5c(c4)CNC5=O)n4ccnc34)cc2)CC1.CN(C)CCNC(=O)c1ccc(Nc2ccc(-c3ccc4c(c3)CNC4=O)n3ccnc23)cc1
InChIInChI=1S/C29H31N5O.C28H31N5O.C26H26N6O2/c1-19(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;1-20(2)31-15-17-32(18-16-31)25-9-7-24(8-10-25)30-26-11-12-27(33-14-13-29-28(26)33)23-6-4-5-22(19-23)21(3)34;1-31(2)13-11-28-25(33)17-3-6-20(7-4-17)30-22-9-10-23(32-14-12-27-24(22)32)18-5-8-21-19(15-18)16-29-26(21)34/h3-10,13,16-17,19,21,32H,11-12,14-15,18H2,1-2H3,(H,31,35);4-14,19-20,30H,15-18H2,1-3H3;3-10,12,14-15,30H,11,13,16H2,1-2H3,(H,28,33)(H,29,34)
InChIKeyHRLIORZLCBVFJX-UHFFFAOYSA-N
MW1373.72 g/mol
LogP14.33
Rot. Bonds18

About N-[2-(dimethylamino)ethyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;1-[3-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]phenyl]ethanone;5-[8-[4-(1-propan-2-ylpiperidin-4-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one

N-[2-(dimethylamino)ethyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;1-[3-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]phenyl]ethanone;5-[8-[4-(1-propan-2-ylpiperidin-4-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one (PubChem CID 158565739) has the molecular formula C83H88N16O4 and a molecular weight of 1373.72 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;1-[3-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]phenyl]ethanone;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 NameN-[2-(dimethylamino)ethyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;1-[3-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]phenyl]ethanone;5-[8-[4-(1-propan-2-ylpiperidin-4-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one
PubChem CID158565739
Molecular FormulaC83H88N16O4
Molecular Weight1373.72 g/mol
Exact Mass1372.72
IUPAC NameN-[2-(dimethylamino)ethyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;1-[3-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]phenyl]ethanone;5-[8-[4-(1-propan-2-ylpiperidin-4-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one
SMILESCC(=O)c1cccc(-c2ccc(Nc3ccc(N4CCN(C(C)C)CC4)cc3)c3nccn23)c1.CC(C)N1CCC(c2ccc(Nc3ccc(-c4ccc5c(c4)CNC5=O)n4ccnc34)cc2)CC1.CN(C)CCNC(=O)c1ccc(Nc2ccc(-c3ccc4c(c3)CNC4=O)n3ccnc23)cc1
InChIInChI=1S/C29H31N5O.C28H31N5O.C26H26N6O2/c1-19(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;1-20(2)31-15-17-32(18-16-31)25-9-7-24(8-10-25)30-26-11-12-27(33-14-13-29-28(26)33)23-6-4-5-22(19-23)21(3)34;1-31(2)13-11-28-25(33)17-3-6-20(7-4-17)30-22-9-10-23(32-14-12-27-24(22)32)18-5-8-21-19(15-18)16-29-26(21)34/h3-10,13,16-17,19,21,32H,11-12,14-15,18H2,1-2H3,(H,31,35);4-14,19-20,30H,15-18H2,1-3H3;3-10,12,14-15,30H,11,13,16H2,1-2H3,(H,28,33)(H,29,34)
InChIKeyHRLIORZLCBVFJX-UHFFFAOYSA-N
XLogP14.33
TPSA205.32 Ų
H-Bond Donors6
H-Bond Acceptors17
Rotatable Bonds18
Heavy Atoms103
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001373.72
LogP ≤ 514.33
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze N-[2-(dimethylamino)ethyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;1-[3-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]phenyl]ethanone;5-[8-[4-(1-propan-2-ylpiperidin-4-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-[4-[4-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]piperazin-1-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,N,2-trimethylbenzamide
CID 177641827
4-[2-[4-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperazin-1-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,N,2-trimethylbenzamide
CID 177644019
4-[2-[4-[1-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidine-4-carbonyl]piperidin-4-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,N,2-trimethylbenzamide
CID 177644647
4-[2-[4-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]pyrrolidin-3-yl]methyl]piperidin-4-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,N,2-trimethylbenzamide
CID 177645056
4-[2-[4-[1-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]ethyl]piperidin-4-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,N,2-trimethylbenzamide
CID 177645304
4-[2-[4-[4-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]ethyl]piperazin-1-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,N,2-trimethylbenzamide
CID 177645351
4-[2-[4-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]pyrrolidin-3-yl]methyl]piperazin-1-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,N,2-trimethylbenzamide
CID 177649217
4-[2-[4-[1-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]pyrrolidin-3-yl]piperidin-4-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,N,2-trimethylbenzamide
CID 177649440
4-[2-[4-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,N,2-trimethylbenzamide
CID 177649857
5-[8-[4-[3-(Dimethylamino)pyrrolidine-1-carbonyl]-3-fluoroanilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one
CID 24990750
5-[8-[3-Fluoro-4-(4-propan-2-ylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one
CID 24991119
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-fluoro-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide
CID 57580591

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;1-[3-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]phenyl]ethanone;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-(dimethylamino)ethyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;1-[3-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]phenyl]ethanone;5-[8-[4-(1-propan-2-ylpiperidin-4-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one (CID 158565739) is N-[2-(dimethylamino)ethyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;1-[3-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]phenyl]ethanone;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-(dimethylamino)ethyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;1-[3-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]phenyl]ethanone;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-(dimethylamino)ethyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;1-[3-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]phenyl]ethanone;5-[8-[4-(1-propan-2-ylpiperidin-4-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one is CC(=O)c1cccc(-c2ccc(Nc3ccc(N4CCN(C(C)C)CC4)cc3)c3nccn23)c1.CC(C)N1CCC(c2ccc(Nc3ccc(-c4ccc5c(c4)CNC5=O)n4ccnc34)cc2)CC1.CN(C)CCNC(=O)c1ccc(Nc2ccc(-c3ccc4c(c3)CNC4=O)n3ccnc23)cc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;1-[3-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]phenyl]ethanone;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 HRLIORZLCBVFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N5O.C28H31N5O.C26H26N6O2/c1-19(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;1-20(2)31-15-17-32(18-16-31)25-9-7-24(8-10-25)30-26-11-12-27(33-14-13-29-28(26)33)23-6-4-5-22(19-23)21(3)34;1-31(2)13-11-28-25(33)17-3-6-20(7-4-17)30-22-9-10-23(32-14-12-27-24(22)32)18-5-8-21-19(15-18)16-29-26(21)34/h3-10,13,16-17,19,21,32H,11-12,14-15,18H2,1-2H3,(H,31,35);4-14,19-20,30H,15-18H2,1-3H3;3-10,12,14-15,30H,11,13,16H2,1-2H3,(H,28,33)(H,29,34).
What are the key properties of N-[2-(dimethylamino)ethyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;1-[3-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]phenyl]ethanone;5-[8-[4-(1-propan-2-ylpiperidin-4-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one?
N-[2-(dimethylamino)ethyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;1-[3-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]phenyl]ethanone;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 1373.72 g/mol, XLogP of 14.33, 18 rotatable bonds, 6 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;1-[3-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]phenyl]ethanone;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 158565739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).