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

C51H42N10O5 — CID 123866147

IUPAC5-[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
SMILESCC(=O)CCCNC(=O)c1ccc(Nc2ccc(-c3ccc4c(c3)CNC4=O)n3ccnc23)cc1.O=C1NCc2cc(-c3ccc(Nc4ccc(-c5cnco5)cc4)c4nccn34)ccc21
InChIInChI=1S/C27H25N5O3.C24H17N5O2/c1-17(33)3-2-12-29-26(34)18-4-7-21(8-5-18)31-23-10-11-24(32-14-13-28-25(23)32)19-6-9-22-20(15-19)16-30-27(22)35;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/h4-11,13-15,31H,2-3,12,16H2,1H3,(H,29,34)(H,30,35);1-11,13-14,28H,12H2,(H,27,30)
InChIKeyOAKUBPTWNMQSMH-UHFFFAOYSA-N
MW874.96 g/mol
LogP8.73
Rot. Bonds12

About 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

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 (PubChem CID 123866147) has the molecular formula C51H42N10O5 and a molecular weight of 874.96 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[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
PubChem CID123866147
Molecular FormulaC51H42N10O5
Molecular Weight874.96 g/mol
Exact Mass874.33
IUPAC Name5-[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
SMILESCC(=O)CCCNC(=O)c1ccc(Nc2ccc(-c3ccc4c(c3)CNC4=O)n3ccnc23)cc1.O=C1NCc2cc(-c3ccc(Nc4ccc(-c5cnco5)cc4)c4nccn34)ccc21
InChIInChI=1S/C27H25N5O3.C24H17N5O2/c1-17(33)3-2-12-29-26(34)18-4-7-21(8-5-18)31-23-10-11-24(32-14-13-28-25(23)32)19-6-9-22-20(15-19)16-30-27(22)35;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/h4-11,13-15,31H,2-3,12,16H2,1H3,(H,29,34)(H,30,35);1-11,13-14,28H,12H2,(H,27,30)
InChIKeyOAKUBPTWNMQSMH-UHFFFAOYSA-N
XLogP8.73
TPSA189.06 Ų
H-Bond Donors5
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500874.96
LogP ≤ 58.73
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

(2S)-1-[(2R)-2-(dimethylamino)-2-phenyl-acetyl]-N-[4-[5-[2-[(2S)-1-[(2R)-2-(dimethylamino)-2-phenyl-acetyl]pyrrolidin-2-yl]-1H-benzimidazol-5-yl]oxazol-2-yl]phenyl]pyrrolidine-2-carboxamide
CID 46893268
(2S)-1-[(2R)-2-(dimethylamino)-2-phenyl-acetyl]-N-[3-[5-[2-[(2S)-1-[(2R)-2-(dimethylamino)-2-phenyl-acetyl]pyrrolidin-2-yl]-1H-benzimidazol-5-yl]oxazol-2-yl]phenyl]pyrrolidine-2-carboxamide
CID 58384795
(2R)-2-(dimethylamino)-1-[(2S)-2-[5-[2-[2-[(2S)-1-[(2R)-2-(dimethylamino)-2-phenyl-acetyl]pyrrolidin-2-yl]-1H-benzimidazol-5-yl]oxazol-5-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-2-phenyl-ethanone
CID 59237076
[(3R)-1-[2-[3-(1,3-oxazol-5-yl)phenyl]-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 117966313
2-(4-fluorophenyl)-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-3-prop-1-en-2-ylimidazo[1,2-a]pyridin-8-amine
CID 58515615
2-(4-fluorophenyl)-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-3-propan-2-ylimidazo[1,2-a]pyridin-8-amine
CID 58515625
2-(2-fluoro-4-methylphenyl)-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]imidazo[1,2-a]pyridin-8-amine
CID 67004379
6-fluoro-2-(4-fluoro-2-methylphenyl)-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]imidazo[1,2-a]pyridin-8-amine
CID 67004625
2-[(4-fluorophenyl)methyl]-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]imidazo[1,2-a]pyridin-8-amine
CID 67004847
2-(4-fluoro-2-methylphenyl)-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]imidazo[1,2-a]pyridin-8-amine
CID 67004909
N-[6-(4-methyl-1,3-oxazol-5-yl)-3-pyridinyl]-2-[2-methyl-5-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidin-8-amine
CID 67005091
2-(4-fluoro-2-methylphenyl)-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine
CID 67005194

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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 (CID 123866147) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)CCCNC(=O)c1ccc(Nc2ccc(-c3ccc4c(c3)CNC4=O)n3ccnc23)cc1.O=C1NCc2cc(-c3ccc(Nc4ccc(-c5cnco5)cc4)c4nccn34)ccc21.
What is the InChIKey of 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?
The InChIKey is OAKUBPTWNMQSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O3.C24H17N5O2/c1-17(33)3-2-12-29-26(34)18-4-7-21(8-5-18)31-23-10-11-24(32-14-13-28-25(23)32)19-6-9-22-20(15-19)16-30-27(22)35;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/h4-11,13-15,31H,2-3,12,16H2,1H3,(H,29,34)(H,30,35);1-11,13-14,28H,12H2,(H,27,30).
What are the key properties of 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?
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 has a molecular weight of 874.96 g/mol, XLogP of 8.73, 12 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 123866147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).