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

C35H21N7O2 — CID 141034243

IUPAC3-[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
SMILESc1ccc2nc(-c3nc(-c4cc[nH]n4)c(-c4cc5ccccc5[nH]4)c4c(-c5cc(-c6ncco6)on5)cccc34)ccc2c1
InChIInChI=1S/C35H21N7O2/c1-3-10-24-20(6-1)12-13-26(38-24)33-23-9-5-8-22(28-19-30(44-42-28)35-36-16-17-43-35)31(23)32(34(40-33)27-14-15-37-41-27)29-18-21-7-2-4-11-25(21)39-29/h1-19,39H,(H,37,41)
InChIKeyATGNLTHORZDSPF-UHFFFAOYSA-N
MW571.60 g/mol
LogP8.30
Rot. Bonds5

About 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

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 (PubChem CID 141034243) has the molecular formula C35H21N7O2 and a molecular weight of 571.60 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[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
PubChem CID141034243
Molecular FormulaC35H21N7O2
Molecular Weight571.60 g/mol
Exact Mass571.18
IUPAC Name3-[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
SMILESc1ccc2nc(-c3nc(-c4cc[nH]n4)c(-c4cc5ccccc5[nH]4)c4c(-c5cc(-c6ncco6)on5)cccc34)ccc2c1
InChIInChI=1S/C35H21N7O2/c1-3-10-24-20(6-1)12-13-26(38-24)33-23-9-5-8-22(28-19-30(44-42-28)35-36-16-17-43-35)31(23)32(34(40-33)27-14-15-37-41-27)29-18-21-7-2-4-11-25(21)39-29/h1-19,39H,(H,37,41)
InChIKeyATGNLTHORZDSPF-UHFFFAOYSA-N
XLogP8.30
TPSA122.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.60
LogP ≤ 58.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

[2-[6-(1H-indol-4-yl)-1-(oxan-2-yl)indazol-4-yl]-1,3-oxazol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 124107662
1-[(2S)-1-[[6-(furan-3-yl)-5-[3-(1H-pyrazol-4-yl)-1H-indazol-5-yl]-3-pyridinyl]oxy]-3-phenylpropan-2-yl]-1-[(2S)-1-[[6-(furan-3-yl)-5-[3-(1H-pyrrol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]oxy]-3-phenylpropan-2-yl]hydrazine
CID 136628319
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
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
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
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
1,2-benzoxazole;1H-cyclopenta[b]pyridine;1H-indazole;pyrano[3,4-b]pyrrole
CID 159870256
4-[[2-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1,3-oxazol-5-yl]methyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 163507253
4-[[2-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1,3-oxazol-4-yl]methyl]-2,6-dimethylmorpholine
CID 122212727

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc2nc(-c3nc(-c4cc[nH]n4)c(-c4cc5ccccc5[nH]4)c4c(-c5cc(-c6ncco6)on5)cccc34)ccc2c1.
What is the InChIKey of 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?
The InChIKey is ATGNLTHORZDSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H21N7O2/c1-3-10-24-20(6-1)12-13-26(38-24)33-23-9-5-8-22(28-19-30(44-42-28)35-36-16-17-43-35)31(23)32(34(40-33)27-14-15-37-41-27)29-18-21-7-2-4-11-25(21)39-29/h1-19,39H,(H,37,41).
What are the key properties of 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?
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 has a molecular weight of 571.60 g/mol, XLogP of 8.30, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 141034243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).