2-[2-isoquinolin-1-yl-5-(1,2-oxazol-3-yl)-1-(1,3-oxazol-2-yl)-2-(1H-pyrazol-5-yl)-3-quinolin-2-ylimidazol-4-yl]-1,3-benzoxazole

C37H23N9O3 — CID 141197542

IUPAC2-[2-isoquinolin-1-yl-5-(1,2-oxazol-3-yl)-1-(1,3-oxazol-2-yl)-2-(1H-pyrazol-5-yl)-3-quinolin-2-ylimidazol-4-yl]-1,3-benzoxazole
SMILESc1ccc2nc(N3C(c4nc5ccccc5o4)=C(c4ccon4)N(c4ncco4)C3(c3ccn[nH]3)c3nccc4ccccc34)ccc2c1
InChIInChI=1S/C37H23N9O3/c1-3-9-25-23(7-1)15-18-38-34(25)37(30-16-19-40-43-30)45(31-14-13-24-8-2-4-10-26(24)41-31)33(35-42-27-11-5-6-12-29(27)49-35)32(28-17-21-48-44-28)46(37)36-39-20-22-47-36/h1-22H,(H,40,43)
InChIKeyVYNWEKAJLMFLKU-UHFFFAOYSA-N
MW641.65 g/mol
LogP7.38
Rot. Bonds6

About 2-[2-isoquinolin-1-yl-5-(1,2-oxazol-3-yl)-1-(1,3-oxazol-2-yl)-2-(1H-pyrazol-5-yl)-3-quinolin-2-ylimidazol-4-yl]-1,3-benzoxazole

2-[2-isoquinolin-1-yl-5-(1,2-oxazol-3-yl)-1-(1,3-oxazol-2-yl)-2-(1H-pyrazol-5-yl)-3-quinolin-2-ylimidazol-4-yl]-1,3-benzoxazole (PubChem CID 141197542) has the molecular formula C37H23N9O3 and a molecular weight of 641.65 g/mol. Its IUPAC name is 2-[2-isoquinolin-1-yl-5-(1,2-oxazol-3-yl)-1-(1,3-oxazol-2-yl)-2-(1H-pyrazol-5-yl)-3-quinolin-2-ylimidazol-4-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[2-isoquinolin-1-yl-5-(1,2-oxazol-3-yl)-1-(1,3-oxazol-2-yl)-2-(1H-pyrazol-5-yl)-3-quinolin-2-ylimidazol-4-yl]-1,3-benzoxazole
PubChem CID141197542
Molecular FormulaC37H23N9O3
Molecular Weight641.65 g/mol
Exact Mass641.19
IUPAC Name2-[2-isoquinolin-1-yl-5-(1,2-oxazol-3-yl)-1-(1,3-oxazol-2-yl)-2-(1H-pyrazol-5-yl)-3-quinolin-2-ylimidazol-4-yl]-1,3-benzoxazole
SMILESc1ccc2nc(N3C(c4nc5ccccc5o4)=C(c4ccon4)N(c4ncco4)C3(c3ccn[nH]3)c3nccc4ccccc34)ccc2c1
InChIInChI=1S/C37H23N9O3/c1-3-9-25-23(7-1)15-18-38-34(25)37(30-16-19-40-43-30)45(31-14-13-24-8-2-4-10-26(24)41-31)33(35-42-27-11-5-6-12-29(27)49-35)32(28-17-21-48-44-28)46(37)36-39-20-22-47-36/h1-22H,(H,40,43)
InChIKeyVYNWEKAJLMFLKU-UHFFFAOYSA-N
XLogP7.38
TPSA139.03 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500641.65
LogP ≤ 57.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 2-[2-isoquinolin-1-yl-5-(1,2-oxazol-3-yl)-1-(1,3-oxazol-2-yl)-2-(1H-pyrazol-5-yl)-3-quinolin-2-ylimidazol-4-yl]-1,3-benzoxazole 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

US11767323, Example 26
CID 169429052
2-[4-[6-(ethylamino)-1-[4-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropanenitrile;N-ethyl-1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]-3-(2-methyl-1,3-oxazol-5-yl)pyrazolo[4,3-c]pyridin-6-amine;N-ethyl-1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]-3-(3-methyl-1,2-oxazol-5-yl)pyrazolo[4,3-c]pyridin-6-amine;N-ethyl-1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]-3-(1,3-oxazol-2-yl)pyrazolo[4,3-c]pyridin-6-amine;N-ethyl-3-(1-methylpyrazol-4-yl)-1-[4-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine
CID 163669137
4-(1H-indazol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 46205559
3-[4-(1H-indol-2-yl)-3-(1H-pyrazol-3-yl)-1-quinolin-2-ylisoquinolin-5-yl]-5-(1,3-oxazol-2-yl)-1,2-oxazole
CID 141034243
2-[5-(1H-indol-2-yl)-2-isoquinolin-1-yl-4-(1,2-oxazol-3-yl)-6-pyrazin-2-yl-1-quinolin-2-ylpyridazin-3-yl]-1,3-oxazole
CID 141105120
2-[5-(1-benzofuran-2-yl)-5-(1H-indol-2-yl)-3-isoquinolin-1-yl-6-(1,2-oxazol-3-yl)-4-quinolin-2-ylpyrazin-2-yl]-1,3-oxazole
CID 141108454
2-[2-(1H-imidazol-2-yl)-1-isoquinolin-1-yl-6-(1,2-oxazol-3-yl)-7-(1,3-oxazol-2-yl)-4-(1H-pyrazol-3-yl)benzimidazol-5-yl]-1,3-benzoxazole
CID 141151092
6-propan-2-ylfuro[3,2-b]pyridine;6-propan-2-ylfuro[3,2-c]pyridine;6-propan-2-yl-3H-imidazo[4,5-c]pyridine;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;4-propan-2-ylisoquinoline;6-propan-2-yl-[1,3]oxazolo[4,5-c]pyridine;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;6-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;2-propan-2-ylquinoline;3-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-yl-1,3,5-triazine;3-propan-2-yl-1,2,4-triazine;4-propan-2-yltriazine;5-propan-2-yl-1,2,4-triazine;6-propan-2-yl-1,2,4-triazine
CID 157104031
1H-benzimidazole;1-benzofuran;2-benzofuran;2H-1,3-benzoxazine;2H-1,4-benzoxazine;1,2-benzoxazole;1,3-benzoxazole;2,1-benzoxazole;2H-chromene;3,4-dihydro-2H-chromene;3,4-dihydro-1H-isochromene;1H-indazole;1H-indole;3H-indole;1H-isochromene;2H-isoindole;isoquinoline;quinazoline;quinoline;quinoxaline
CID 157286707
N-[3-[(1-acetylindol-3-yl)methylamino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(2-hydroxy-4-methylphenyl)methylamino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(2-hydroxyphenyl)methylamino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-(1H-indol-3-ylmethylamino)propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(5-methoxy-3-pyridinyl)methylamino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(2-methyl-1,3-oxazol-5-yl)methylamino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(3-methyl-1,2-oxazol-5-yl)methylamino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;3-phenyl-N-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)propyl]-1H-pyrazole-5-carboxamide
CID 157309391
1H-benzimidazole;1-benzofuran;2-benzofuran;1,2-benzoxazole;1,3-benzoxazole;cinnoline;6H-cyclopenta[b]pyridine;6H-cyclopenta[c]pyridine;ethane;1H-imidazo[4,5-b]pyridine;1H-indazole;2H-indene;1H-indole;isoquinoline;1,5-naphthyridine;1,6-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;2,6-naphthyridine;2,7-naphthyridine;phthalazine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;quinazoline;quinoline;quinoxaline
CID 157558154
1H-benzimidazole;1-benzofuran;1,2-benzoxazole;1,3-benzoxazole;cinnoline;1H-indazole;1H-indole;isoquinoline;quinazoline;quinoline
CID 157625689

Frequently Asked Questions

What is the IUPAC name of 2-[2-isoquinolin-1-yl-5-(1,2-oxazol-3-yl)-1-(1,3-oxazol-2-yl)-2-(1H-pyrazol-5-yl)-3-quinolin-2-ylimidazol-4-yl]-1,3-benzoxazole?
The IUPAC name of 2-[2-isoquinolin-1-yl-5-(1,2-oxazol-3-yl)-1-(1,3-oxazol-2-yl)-2-(1H-pyrazol-5-yl)-3-quinolin-2-ylimidazol-4-yl]-1,3-benzoxazole (CID 141197542) is 2-[2-isoquinolin-1-yl-5-(1,2-oxazol-3-yl)-1-(1,3-oxazol-2-yl)-2-(1H-pyrazol-5-yl)-3-quinolin-2-ylimidazol-4-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-[2-isoquinolin-1-yl-5-(1,2-oxazol-3-yl)-1-(1,3-oxazol-2-yl)-2-(1H-pyrazol-5-yl)-3-quinolin-2-ylimidazol-4-yl]-1,3-benzoxazole?
The canonical SMILES for 2-[2-isoquinolin-1-yl-5-(1,2-oxazol-3-yl)-1-(1,3-oxazol-2-yl)-2-(1H-pyrazol-5-yl)-3-quinolin-2-ylimidazol-4-yl]-1,3-benzoxazole is c1ccc2nc(N3C(c4nc5ccccc5o4)=C(c4ccon4)N(c4ncco4)C3(c3ccn[nH]3)c3nccc4ccccc34)ccc2c1.
What is the InChIKey of 2-[2-isoquinolin-1-yl-5-(1,2-oxazol-3-yl)-1-(1,3-oxazol-2-yl)-2-(1H-pyrazol-5-yl)-3-quinolin-2-ylimidazol-4-yl]-1,3-benzoxazole?
The InChIKey is VYNWEKAJLMFLKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23N9O3/c1-3-9-25-23(7-1)15-18-38-34(25)37(30-16-19-40-43-30)45(31-14-13-24-8-2-4-10-26(24)41-31)33(35-42-27-11-5-6-12-29(27)49-35)32(28-17-21-48-44-28)46(37)36-39-20-22-47-36/h1-22H,(H,40,43).
What are the key properties of 2-[2-isoquinolin-1-yl-5-(1,2-oxazol-3-yl)-1-(1,3-oxazol-2-yl)-2-(1H-pyrazol-5-yl)-3-quinolin-2-ylimidazol-4-yl]-1,3-benzoxazole?
2-[2-isoquinolin-1-yl-5-(1,2-oxazol-3-yl)-1-(1,3-oxazol-2-yl)-2-(1H-pyrazol-5-yl)-3-quinolin-2-ylimidazol-4-yl]-1,3-benzoxazole has a molecular weight of 641.65 g/mol, XLogP of 7.38, 6 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-isoquinolin-1-yl-5-(1,2-oxazol-3-yl)-1-(1,3-oxazol-2-yl)-2-(1H-pyrazol-5-yl)-3-quinolin-2-ylimidazol-4-yl]-1,3-benzoxazole is sourced from PubChem (CID 141197542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).