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

C40H25N9O2 — CID 141105120

IUPAC2-[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
SMILESc1ccc2nc(N3C(c4cnccn4)=C(c4cc5ccccc5[nH]4)C(c4ccon4)=C(c4ncco4)N3c3nccc4ccccc34)ccc2c1
InChIInChI=1S/C40H25N9O2/c1-4-10-28-25(7-1)15-17-43-39(28)49-38(40-44-20-22-50-40)35(31-16-21-51-47-31)36(32-23-27-9-3-6-12-30(27)45-32)37(33-24-41-18-19-42-33)48(49)34-14-13-26-8-2-5-11-29(26)46-34/h1-24,45H
InChIKeyUCCUVUWIKCBCIK-UHFFFAOYSA-N
MW663.70 g/mol
LogP8.41
Rot. Bonds6

About 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

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 (PubChem CID 141105120) has the molecular formula C40H25N9O2 and a molecular weight of 663.70 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID141105120
Molecular FormulaC40H25N9O2
Molecular Weight663.70 g/mol
Exact Mass663.21
IUPAC Name2-[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
SMILESc1ccc2nc(N3C(c4cnccn4)=C(c4cc5ccccc5[nH]4)C(c4ccon4)=C(c4ncco4)N3c3nccc4ccccc34)ccc2c1
InChIInChI=1S/C40H25N9O2/c1-4-10-28-25(7-1)15-17-43-39(28)49-38(40-44-20-22-50-40)35(31-16-21-51-47-31)36(32-23-27-9-3-6-12-30(27)45-32)37(33-24-41-18-19-42-33)48(49)34-14-13-26-8-2-5-11-29(26)46-34/h1-24,45H
InChIKeyUCCUVUWIKCBCIK-UHFFFAOYSA-N
XLogP8.41
TPSA125.89 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.70
LogP ≤ 58.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Related Compounds

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-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
3-amino-N-isoquinolin-1-yl-5-(1,3-oxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154657852
3-amino-N-(1H-benzimidazol-2-ylmethyl)-5-(1,3-oxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154658154
(3R)-1-[[2-[2-methyl-3-[2-methyl-3-[[3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-yl]amino]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridin-6-yl]methyl]pyrrolidine-3-carbaldehyde
CID 166672632

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc2nc(N3C(c4cnccn4)=C(c4cc5ccccc5[nH]4)C(c4ccon4)=C(c4ncco4)N3c3nccc4ccccc34)ccc2c1.
What is the InChIKey of 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?
The InChIKey is UCCUVUWIKCBCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25N9O2/c1-4-10-28-25(7-1)15-17-43-39(28)49-38(40-44-20-22-50-40)35(31-16-21-51-47-31)36(32-23-27-9-3-6-12-30(27)45-32)37(33-24-41-18-19-42-33)48(49)34-14-13-26-8-2-5-11-29(26)46-34/h1-24,45H.
What are the key properties of 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?
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 has a molecular weight of 663.70 g/mol, XLogP of 8.41, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 141105120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).