2-(1H-indazol-3-yl)-5-isoquinolin-1-yl-2-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)-7-pyridin-2-yl-6-quinolin-2-yl-3H-1,3-benzoxazole

C43H26N8O3 — CID 141156737

IUPAC2-(1H-indazol-3-yl)-5-isoquinolin-1-yl-2-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)-7-pyridin-2-yl-6-quinolin-2-yl-3H-1,3-benzoxazole
SMILESc1ccc(-c2c3c(c(-c4ncco4)c(-c4nccc5ccccc45)c2-c2ccc4ccccc4n2)NC(c2ccon2)(c2n[nH]c4ccccc24)O3)nc1
InChIInChI=1S/C43H26N8O3/c1-3-11-27-25(9-1)18-21-45-38(27)36-34(32-17-16-26-10-2-5-13-29(26)47-32)35(31-15-7-8-20-44-31)40-39(37(36)42-46-22-24-52-42)48-43(54-40,33-19-23-53-51-33)41-28-12-4-6-14-30(28)49-50-41/h1-24,48H,(H,49,50)
InChIKeyRRKJOUFSELTSCS-UHFFFAOYSA-N
MW702.73 g/mol
LogP9.40
Rot. Bonds6

About 2-(1H-indazol-3-yl)-5-isoquinolin-1-yl-2-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)-7-pyridin-2-yl-6-quinolin-2-yl-3H-1,3-benzoxazole

2-(1H-indazol-3-yl)-5-isoquinolin-1-yl-2-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)-7-pyridin-2-yl-6-quinolin-2-yl-3H-1,3-benzoxazole (PubChem CID 141156737) has the molecular formula C43H26N8O3 and a molecular weight of 702.73 g/mol. Its IUPAC name is 2-(1H-indazol-3-yl)-5-isoquinolin-1-yl-2-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)-7-pyridin-2-yl-6-quinolin-2-yl-3H-1,3-benzoxazole.

Molecular Properties

Compound Name2-(1H-indazol-3-yl)-5-isoquinolin-1-yl-2-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)-7-pyridin-2-yl-6-quinolin-2-yl-3H-1,3-benzoxazole
PubChem CID141156737
Molecular FormulaC43H26N8O3
Molecular Weight702.73 g/mol
Exact Mass702.21
IUPAC Name2-(1H-indazol-3-yl)-5-isoquinolin-1-yl-2-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)-7-pyridin-2-yl-6-quinolin-2-yl-3H-1,3-benzoxazole
SMILESc1ccc(-c2c3c(c(-c4ncco4)c(-c4nccc5ccccc45)c2-c2ccc4ccccc4n2)NC(c2ccon2)(c2n[nH]c4ccccc24)O3)nc1
InChIInChI=1S/C43H26N8O3/c1-3-11-27-25(9-1)18-21-45-38(27)36-34(32-17-16-26-10-2-5-13-29(26)47-32)35(31-15-7-8-20-44-31)40-39(37(36)42-46-22-24-52-42)48-43(54-40,33-19-23-53-51-33)41-28-12-4-6-14-30(28)49-50-41/h1-24,48H,(H,49,50)
InChIKeyRRKJOUFSELTSCS-UHFFFAOYSA-N
XLogP9.40
TPSA140.67 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.73
LogP ≤ 59.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 2-(1H-indazol-3-yl)-5-isoquinolin-1-yl-2-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)-7-pyridin-2-yl-6-quinolin-2-yl-3H-1,3-benzoxazole with MolForge

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Launch Full Analysis

Related Compounds

2-[2-(1,3-oxazol-2-yl)-4-piperazin-1-yl-6-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-5-(2H-triazol-4-yl)phenyl]-1,3-benzoxazole
CID 140970769
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-[6-(3H-benzo[e]indazol-1-yl)-5-(oxadiazol-4-yl)-2-(1,3-oxazol-2-yl)-[1,3]oxazolo[5,4-b]pyridin-7-yl]benzo[e][1,3]benzoxazole
CID 141190427
4-(1H-indazol-3-yl)-2-(1,3-oxazol-2-yl)-5-pyrazolo[1,5-a]pyridin-2-yl-6-(1H-pyrazol-3-yl)-7-pyridin-2-yl-1,3-benzoxazole
CID 141223561
1-[4-(1,3-oxazol-2-yl)-2-[5-(1,2-oxazol-3-yl)oxadiazol-4-yl]-1,3-benzoxazol-5-yl]-10H-phenoxazine
CID 149664855
7-(3,5-Dimethyl-1,2-oxazol-4-yl)-3-methoxy-11-pyridin-3-yl-9-oxa-1,2-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene;7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-11-pyridin-3-yl-9-oxa-1,2-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-3-one
CID 159386737
5-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzoxazole;5-tert-butyl-2,3-dihydro-1,3-benzoxazole;8-tert-butyl-3,4-dihydro-2H-chromene;2-tert-butyl-6,7-dihydro-5H-cyclopenta[b]pyridine;1-tert-butyl-2,3-dihydroindole;6-tert-butyl-2,3-dihydro-1H-indole;3-N-tert-butyl-4-N,1-dimethylpyrazole-3,4-dicarboxamide;3-tert-butyl-2H-indazole;5-tert-butyl-1H-indene;4-tert-butylisoquinoline;2-tert-butylpyridine;7-tert-butyl-5H-pyrrolo[3,4-b]pyridine;8-tert-butylquinoline;3-tert-butyl-4,5,6,7-tetrahydro-1H-isoindole;8-tert-butyl-1,2,3,4-tetrahydroisoquinoline;3-tert-butyl-5,6,7,8-tetrahydro-1,6-naphthyridine;6-tert-butyl-1,2,3,4-tetrahydroquinoline;8-tert-butyl-1,2,3,4-tetrahydroquinoline
CID 159884685
7-(3,5-Dimethyl-1,2-oxazol-4-yl)-3-methoxy-11-pyridin-2-yl-9-oxa-1,2-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene;7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-11-pyridin-2-yl-9-oxa-1,2-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-3-one
CID 160266118
1,5-dimethylindazole;1,6-dimethylindazole;1,5-dimethylindole;1,6-dimethylindole;2,5-dimethyl-3H-isoindol-1-one;ethane;methane;5-methyl-1,2-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,2-benzoxazole;6-methyl-1,3-benzoxazole;6-methylcinnoline;2-methylnaphthalene;6-methylphthalazine
CID 160591754
6-Tert-butyl-1,2-benzoxazole;6-tert-butyl-1,3-benzoxazole;6-tert-butyl-2-methyl-1,3-benzoxazole;6-tert-butyl-2-methylindazole;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine
CID 164973937
4-ethoxy-3-fluoro-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;4-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;4-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-1H-indazole-6-carboxamide;7-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-1H-indazole-5-carboxamide;N-(1H-indazol-7-ylmethyl)-N,4-dimethyl-3-propoxybenzamide;N-(1H-indazol-7-ylmethyl)-N-methyl-2-propoxypyridine-4-carboxamide;N-(1H-indazol-7-ylmethyl)-N-methyl-6-propoxypyridine-2-carboxamide
CID 167616399
4-(4-Methylphenyl)-24-(4-nitrophenyl)-3-oxa-5,14,19,20-tetrazahexacyclo[11.11.0.02,6.07,12.015,23.018,22]tetracosa-1(24),2(6),4,7,9,11,13,15(23),16,18(22),20-undecaene
CID 102498972

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indazol-3-yl)-5-isoquinolin-1-yl-2-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)-7-pyridin-2-yl-6-quinolin-2-yl-3H-1,3-benzoxazole?
The IUPAC name of 2-(1H-indazol-3-yl)-5-isoquinolin-1-yl-2-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)-7-pyridin-2-yl-6-quinolin-2-yl-3H-1,3-benzoxazole (CID 141156737) is 2-(1H-indazol-3-yl)-5-isoquinolin-1-yl-2-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)-7-pyridin-2-yl-6-quinolin-2-yl-3H-1,3-benzoxazole.
What is the SMILES notation for 2-(1H-indazol-3-yl)-5-isoquinolin-1-yl-2-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)-7-pyridin-2-yl-6-quinolin-2-yl-3H-1,3-benzoxazole?
The canonical SMILES for 2-(1H-indazol-3-yl)-5-isoquinolin-1-yl-2-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)-7-pyridin-2-yl-6-quinolin-2-yl-3H-1,3-benzoxazole is c1ccc(-c2c3c(c(-c4ncco4)c(-c4nccc5ccccc45)c2-c2ccc4ccccc4n2)NC(c2ccon2)(c2n[nH]c4ccccc24)O3)nc1.
What is the InChIKey of 2-(1H-indazol-3-yl)-5-isoquinolin-1-yl-2-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)-7-pyridin-2-yl-6-quinolin-2-yl-3H-1,3-benzoxazole?
The InChIKey is RRKJOUFSELTSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H26N8O3/c1-3-11-27-25(9-1)18-21-45-38(27)36-34(32-17-16-26-10-2-5-13-29(26)47-32)35(31-15-7-8-20-44-31)40-39(37(36)42-46-22-24-52-42)48-43(54-40,33-19-23-53-51-33)41-28-12-4-6-14-30(28)49-50-41/h1-24,48H,(H,49,50).
What are the key properties of 2-(1H-indazol-3-yl)-5-isoquinolin-1-yl-2-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)-7-pyridin-2-yl-6-quinolin-2-yl-3H-1,3-benzoxazole?
2-(1H-indazol-3-yl)-5-isoquinolin-1-yl-2-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)-7-pyridin-2-yl-6-quinolin-2-yl-3H-1,3-benzoxazole has a molecular weight of 702.73 g/mol, XLogP of 9.40, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indazol-3-yl)-5-isoquinolin-1-yl-2-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)-7-pyridin-2-yl-6-quinolin-2-yl-3H-1,3-benzoxazole is sourced from PubChem (CID 141156737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).