N-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-2-fluoro-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;5-[8-[4-(2-methyl-1,3-thiazol-4-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;5-[8-[4-(1,3-oxazol-5-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one

C78H67FN16O5S — CID 158358204

IUPACN-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-2-fluoro-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;5-[8-[4-(2-methyl-1,3-thiazol-4-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;5-[8-[4-(1,3-oxazol-5-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one
SMILESCCN(C)CCN(CC)C(=O)c1ccc(Nc2ccc(-c3ccc4c(c3)CNC4=O)n3ccnc23)cc1F.Cc1nc(-c2ccc(Nc3ccc(-c4ccc5c(c4)CNC5=O)n4ccnc34)cc2)cs1.O=C1NCc2cc(-c3ccc(Nc4ccc(-c5cnco5)cc4)c4nccn34)ccc21
InChIInChI=1S/C29H31FN6O2.C25H19N5OS.C24H17N5O2/c1-4-34(3)14-15-35(5-2)29(38)23-9-7-21(17-24(23)30)33-25-10-11-26(36-13-12-31-27(25)36)19-6-8-22-20(16-19)18-32-28(22)37;1-15-28-22(14-32-15)16-2-5-19(6-3-16)29-21-8-9-23(30-11-10-26-24(21)30)17-4-7-20-18(12-17)13-27-25(20)31;30-24-19-6-3-16(11-17(19)12-27-24)21-8-7-20(23-26-9-10-29(21)23)28-18-4-1-15(2-5-18)22-13-25-14-31-22/h6-13,16-17,33H,4-5,14-15,18H2,1-3H3,(H,32,37);2-12,14,29H,13H2,1H3,(H,27,31);1-11,13-14,28H,12H2,(H,27,30)
InChIKeyGTDIXOZJTBMBOO-UHFFFAOYSA-N
MW1359.57 g/mol
LogP14.60
Rot. Bonds17

About N-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-2-fluoro-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;5-[8-[4-(2-methyl-1,3-thiazol-4-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;5-[8-[4-(1,3-oxazol-5-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one

N-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-2-fluoro-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;5-[8-[4-(2-methyl-1,3-thiazol-4-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;5-[8-[4-(1,3-oxazol-5-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one (PubChem CID 158358204) has the molecular formula C78H67FN16O5S and a molecular weight of 1359.57 g/mol. Its IUPAC name is N-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-2-fluoro-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;5-[8-[4-(2-methyl-1,3-thiazol-4-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;5-[8-[4-(1,3-oxazol-5-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound NameN-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-2-fluoro-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;5-[8-[4-(2-methyl-1,3-thiazol-4-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;5-[8-[4-(1,3-oxazol-5-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one
PubChem CID158358204
Molecular FormulaC78H67FN16O5S
Molecular Weight1359.57 g/mol
Exact Mass1358.52
IUPAC NameN-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-2-fluoro-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;5-[8-[4-(2-methyl-1,3-thiazol-4-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;5-[8-[4-(1,3-oxazol-5-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one
SMILESCCN(C)CCN(CC)C(=O)c1ccc(Nc2ccc(-c3ccc4c(c3)CNC4=O)n3ccnc23)cc1F.Cc1nc(-c2ccc(Nc3ccc(-c4ccc5c(c4)CNC5=O)n4ccnc34)cc2)cs1.O=C1NCc2cc(-c3ccc(Nc4ccc(-c5cnco5)cc4)c4nccn34)ccc21
InChIInChI=1S/C29H31FN6O2.C25H19N5OS.C24H17N5O2/c1-4-34(3)14-15-35(5-2)29(38)23-9-7-21(17-24(23)30)33-25-10-11-26(36-13-12-31-27(25)36)19-6-8-22-20(16-19)18-32-28(22)37;1-15-28-22(14-32-15)16-2-5-19(6-3-16)29-21-8-9-23(30-11-10-26-24(21)30)17-4-7-20-18(12-17)13-27-25(20)31;30-24-19-6-3-16(11-17(19)12-27-24)21-8-7-20(23-26-9-10-29(21)23)28-18-4-1-15(2-5-18)22-13-25-14-31-22/h6-13,16-17,33H,4-5,14-15,18H2,1-3H3,(H,32,37);2-12,14,29H,13H2,1H3,(H,27,31);1-11,13-14,28H,12H2,(H,27,30)
InChIKeyGTDIXOZJTBMBOO-UHFFFAOYSA-N
XLogP14.60
TPSA237.76 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds17
Heavy Atoms101
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001359.57
LogP ≤ 514.60
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Analyze N-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-2-fluoro-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;5-[8-[4-(2-methyl-1,3-thiazol-4-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;5-[8-[4-(1,3-oxazol-5-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one with MolForge

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Related Compounds

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5-[8-[4-(1,3-oxazol-5-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-(4-oxopentyl)benzamide
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CID 157097282
Methane;3-phenyl-2-[2,4,5-tris(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridine;3-phenyl-2-[4-[2,4,5-tris[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]phenyl]imidazo[4,5-b]pyridine;2-[2,4,5-tris([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine;2-[2,4,5-tris([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]thiazolo[5,4-b]pyridine
CID 157548202
2-[4-[3,5-Bis[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine;2-[2-[3,5-bis[5-(3-phenylimidazo[4,5-b]pyridin-2-yl)pyrimidin-2-yl]phenyl]pyrimidin-5-yl]-3-phenylimidazo[4,5-b]pyridine;2-[4-[3,5-bis[4-([1,3]tellurazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]tellurazolo[5,4-b]pyridine;2-[4-[3,5-bis[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]thiazolo[5,4-b]pyridine;2-[2-(1,2-dihydro-[1,3]oxazolo[5,4-b]pyridin-2-yl)-4,5-bis([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine;3-phenyl-2-[2-(3-phenyl-1,2-dihydroimidazo[4,5-b]pyridin-2-yl)-4,5-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridine
CID 157741828
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-[(2R)-2-methylpiperazin-1-yl]phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-[(2S)-2-methylpiperazin-1-yl]phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(1,3-oxazol-5-yl)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-piperazin-1-yl-2-pyridinyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-(1,3-thiazol-2-yl)-2-pyridinyl]acetamide
CID 157932121
3-Phenyl-2-[4-[2,4,5-tris[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]phenyl]imidazo[4,5-b]pyridine;2-[4-[2,4,5-tris[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine;2-[4-[2,4,5-tris[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]thiazolo[5,4-b]pyridine
CID 158056862
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CID 158775931
3-Phenyl-2-[2-[2,4,6-trimethyl-3,5-bis[2-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]phenyl]imidazo[4,5-b]pyridine;2-[2-[2,4,6-trimethyl-3,5-bis[2-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine;2-[2-[2,4,6-trimethyl-3,5-bis[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]thiazolo[5,4-b]pyridine
CID 158809104

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-2-fluoro-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;5-[8-[4-(2-methyl-1,3-thiazol-4-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;5-[8-[4-(1,3-oxazol-5-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one?
The IUPAC name of N-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-2-fluoro-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;5-[8-[4-(2-methyl-1,3-thiazol-4-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;5-[8-[4-(1,3-oxazol-5-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one (CID 158358204) is N-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-2-fluoro-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;5-[8-[4-(2-methyl-1,3-thiazol-4-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;5-[8-[4-(1,3-oxazol-5-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one.
What is the SMILES notation for N-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-2-fluoro-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;5-[8-[4-(2-methyl-1,3-thiazol-4-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;5-[8-[4-(1,3-oxazol-5-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one?
The canonical SMILES for N-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-2-fluoro-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;5-[8-[4-(2-methyl-1,3-thiazol-4-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;5-[8-[4-(1,3-oxazol-5-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one is CCN(C)CCN(CC)C(=O)c1ccc(Nc2ccc(-c3ccc4c(c3)CNC4=O)n3ccnc23)cc1F.Cc1nc(-c2ccc(Nc3ccc(-c4ccc5c(c4)CNC5=O)n4ccnc34)cc2)cs1.O=C1NCc2cc(-c3ccc(Nc4ccc(-c5cnco5)cc4)c4nccn34)ccc21.
What is the InChIKey of N-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-2-fluoro-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;5-[8-[4-(2-methyl-1,3-thiazol-4-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;5-[8-[4-(1,3-oxazol-5-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one?
The InChIKey is GTDIXOZJTBMBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31FN6O2.C25H19N5OS.C24H17N5O2/c1-4-34(3)14-15-35(5-2)29(38)23-9-7-21(17-24(23)30)33-25-10-11-26(36-13-12-31-27(25)36)19-6-8-22-20(16-19)18-32-28(22)37;1-15-28-22(14-32-15)16-2-5-19(6-3-16)29-21-8-9-23(30-11-10-26-24(21)30)17-4-7-20-18(12-17)13-27-25(20)31;30-24-19-6-3-16(11-17(19)12-27-24)21-8-7-20(23-26-9-10-29(21)23)28-18-4-1-15(2-5-18)22-13-25-14-31-22/h6-13,16-17,33H,4-5,14-15,18H2,1-3H3,(H,32,37);2-12,14,29H,13H2,1H3,(H,27,31);1-11,13-14,28H,12H2,(H,27,30).
What are the key properties of N-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-2-fluoro-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;5-[8-[4-(2-methyl-1,3-thiazol-4-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;5-[8-[4-(1,3-oxazol-5-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one?
N-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-2-fluoro-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;5-[8-[4-(2-methyl-1,3-thiazol-4-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;5-[8-[4-(1,3-oxazol-5-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one has a molecular weight of 1359.57 g/mol, XLogP of 14.60, 17 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-2-fluoro-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;5-[8-[4-(2-methyl-1,3-thiazol-4-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;5-[8-[4-(1,3-oxazol-5-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 158358204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).