1-(2-pyrazin-2-yl-5-pyridazin-3-yl-4-pyridin-2-yl-3-pyrimidin-2-yl-4-quinolin-2-yl-2-thiophen-2-yloxolan-3-yl)isoquinoline

C43H29N9OS — CID 141008279

IUPAC1-(2-pyrazin-2-yl-5-pyridazin-3-yl-4-pyridin-2-yl-3-pyrimidin-2-yl-4-quinolin-2-yl-2-thiophen-2-yloxolan-3-yl)isoquinoline
SMILESc1ccc(C2(c3ccc4ccccc4n3)C(c3cccnn3)OC(c3cnccn3)(c3cccs3)C2(c2ncccn2)c2nccc3ccccc23)nc1
InChIInChI=1S/C43H29N9OS/c1-3-12-31-29(10-1)19-24-47-38(31)42(40-48-21-9-22-49-40)41(34-15-5-6-20-45-34,35-18-17-30-11-2-4-13-32(30)51-35)39(33-14-7-23-50-52-33)53-43(42,37-16-8-27-54-37)36-28-44-25-26-46-36/h1-28,39H
InChIKeyFNJKQTWYYJBLNF-UHFFFAOYSA-N
MW719.83 g/mol
LogP7.60
Rot. Bonds7

About 1-(2-pyrazin-2-yl-5-pyridazin-3-yl-4-pyridin-2-yl-3-pyrimidin-2-yl-4-quinolin-2-yl-2-thiophen-2-yloxolan-3-yl)isoquinoline

1-(2-pyrazin-2-yl-5-pyridazin-3-yl-4-pyridin-2-yl-3-pyrimidin-2-yl-4-quinolin-2-yl-2-thiophen-2-yloxolan-3-yl)isoquinoline (PubChem CID 141008279) has the molecular formula C43H29N9OS and a molecular weight of 719.83 g/mol. Its IUPAC name is 1-(2-pyrazin-2-yl-5-pyridazin-3-yl-4-pyridin-2-yl-3-pyrimidin-2-yl-4-quinolin-2-yl-2-thiophen-2-yloxolan-3-yl)isoquinoline.

Molecular Properties

Compound Name1-(2-pyrazin-2-yl-5-pyridazin-3-yl-4-pyridin-2-yl-3-pyrimidin-2-yl-4-quinolin-2-yl-2-thiophen-2-yloxolan-3-yl)isoquinoline
PubChem CID141008279
Molecular FormulaC43H29N9OS
Molecular Weight719.83 g/mol
Exact Mass719.22
IUPAC Name1-(2-pyrazin-2-yl-5-pyridazin-3-yl-4-pyridin-2-yl-3-pyrimidin-2-yl-4-quinolin-2-yl-2-thiophen-2-yloxolan-3-yl)isoquinoline
SMILESc1ccc(C2(c3ccc4ccccc4n3)C(c3cccnn3)OC(c3cnccn3)(c3cccs3)C2(c2ncccn2)c2nccc3ccccc23)nc1
InChIInChI=1S/C43H29N9OS/c1-3-12-31-29(10-1)19-24-47-38(31)42(40-48-21-9-22-49-40)41(34-15-5-6-20-45-34,35-18-17-30-11-2-4-13-32(30)51-35)39(33-14-7-23-50-52-33)53-43(42,37-16-8-27-54-37)36-28-44-25-26-46-36/h1-28,39H
InChIKeyFNJKQTWYYJBLNF-UHFFFAOYSA-N
XLogP7.60
TPSA125.24 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500719.83
LogP ≤ 57.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 1-(2-pyrazin-2-yl-5-pyridazin-3-yl-4-pyridin-2-yl-3-pyrimidin-2-yl-4-quinolin-2-yl-2-thiophen-2-yloxolan-3-yl)isoquinoline with MolForge

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Launch Full Analysis

Related Compounds

4-(2-Pyrazin-2-yl-4-pyridazin-3-yl-3-pyridin-2-yl-5-pyrimidin-2-yl-2-thiophen-2-ylfuran-3-yl)triazine
CID 141313624
2-(3-pyridazin-3-yl-2-pyridin-2-yl-4-pyrimidin-2-yl-2-thiophen-2-yl-3H-furan-5-yl)pyrazine
CID 141344335

Frequently Asked Questions

What is the IUPAC name of 1-(2-pyrazin-2-yl-5-pyridazin-3-yl-4-pyridin-2-yl-3-pyrimidin-2-yl-4-quinolin-2-yl-2-thiophen-2-yloxolan-3-yl)isoquinoline?
The IUPAC name of 1-(2-pyrazin-2-yl-5-pyridazin-3-yl-4-pyridin-2-yl-3-pyrimidin-2-yl-4-quinolin-2-yl-2-thiophen-2-yloxolan-3-yl)isoquinoline (CID 141008279) is 1-(2-pyrazin-2-yl-5-pyridazin-3-yl-4-pyridin-2-yl-3-pyrimidin-2-yl-4-quinolin-2-yl-2-thiophen-2-yloxolan-3-yl)isoquinoline.
What is the SMILES notation for 1-(2-pyrazin-2-yl-5-pyridazin-3-yl-4-pyridin-2-yl-3-pyrimidin-2-yl-4-quinolin-2-yl-2-thiophen-2-yloxolan-3-yl)isoquinoline?
The canonical SMILES for 1-(2-pyrazin-2-yl-5-pyridazin-3-yl-4-pyridin-2-yl-3-pyrimidin-2-yl-4-quinolin-2-yl-2-thiophen-2-yloxolan-3-yl)isoquinoline is c1ccc(C2(c3ccc4ccccc4n3)C(c3cccnn3)OC(c3cnccn3)(c3cccs3)C2(c2ncccn2)c2nccc3ccccc23)nc1.
What is the InChIKey of 1-(2-pyrazin-2-yl-5-pyridazin-3-yl-4-pyridin-2-yl-3-pyrimidin-2-yl-4-quinolin-2-yl-2-thiophen-2-yloxolan-3-yl)isoquinoline?
The InChIKey is FNJKQTWYYJBLNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H29N9OS/c1-3-12-31-29(10-1)19-24-47-38(31)42(40-48-21-9-22-49-40)41(34-15-5-6-20-45-34,35-18-17-30-11-2-4-13-32(30)51-35)39(33-14-7-23-50-52-33)53-43(42,37-16-8-27-54-37)36-28-44-25-26-46-36/h1-28,39H.
What are the key properties of 1-(2-pyrazin-2-yl-5-pyridazin-3-yl-4-pyridin-2-yl-3-pyrimidin-2-yl-4-quinolin-2-yl-2-thiophen-2-yloxolan-3-yl)isoquinoline?
1-(2-pyrazin-2-yl-5-pyridazin-3-yl-4-pyridin-2-yl-3-pyrimidin-2-yl-4-quinolin-2-yl-2-thiophen-2-yloxolan-3-yl)isoquinoline has a molecular weight of 719.83 g/mol, XLogP of 7.60, 7 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyrazin-2-yl-5-pyridazin-3-yl-4-pyridin-2-yl-3-pyrimidin-2-yl-4-quinolin-2-yl-2-thiophen-2-yloxolan-3-yl)isoquinoline is sourced from PubChem (CID 141008279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).