2-[5-(furan-2-yl)-2-pyridazin-3-yl-4-pyridin-2-yl-3-pyrimidin-2-yl-6-thiophen-2-ylphenyl]pyrazine

C31H19N7OS — CID 141006425

IUPAC2-[5-(furan-2-yl)-2-pyridazin-3-yl-4-pyridin-2-yl-3-pyrimidin-2-yl-6-thiophen-2-ylphenyl]pyrazine
SMILESc1ccc(-c2c(-c3ncccn3)c(-c3cccnn3)c(-c3cnccn3)c(-c3cccs3)c2-c2ccco2)nc1
InChIInChI=1S/C31H19N7OS/c1-2-11-33-20(7-1)25-28(23-9-4-17-39-23)29(24-10-5-18-40-24)27(22-19-32-15-16-34-22)26(21-8-3-14-37-38-21)30(25)31-35-12-6-13-36-31/h1-19H
InChIKeyNEJQOIGESNCWFK-UHFFFAOYSA-N
MW537.61 g/mol
LogP7.11
Rot. Bonds6

About 2-[5-(furan-2-yl)-2-pyridazin-3-yl-4-pyridin-2-yl-3-pyrimidin-2-yl-6-thiophen-2-ylphenyl]pyrazine

2-[5-(furan-2-yl)-2-pyridazin-3-yl-4-pyridin-2-yl-3-pyrimidin-2-yl-6-thiophen-2-ylphenyl]pyrazine (PubChem CID 141006425) has the molecular formula C31H19N7OS and a molecular weight of 537.61 g/mol. Its IUPAC name is 2-[5-(furan-2-yl)-2-pyridazin-3-yl-4-pyridin-2-yl-3-pyrimidin-2-yl-6-thiophen-2-ylphenyl]pyrazine.

Molecular Properties

Compound Name2-[5-(furan-2-yl)-2-pyridazin-3-yl-4-pyridin-2-yl-3-pyrimidin-2-yl-6-thiophen-2-ylphenyl]pyrazine
PubChem CID141006425
Molecular FormulaC31H19N7OS
Molecular Weight537.61 g/mol
Exact Mass537.14
IUPAC Name2-[5-(furan-2-yl)-2-pyridazin-3-yl-4-pyridin-2-yl-3-pyrimidin-2-yl-6-thiophen-2-ylphenyl]pyrazine
SMILESc1ccc(-c2c(-c3ncccn3)c(-c3cccnn3)c(-c3cnccn3)c(-c3cccs3)c2-c2ccco2)nc1
InChIInChI=1S/C31H19N7OS/c1-2-11-33-20(7-1)25-28(23-9-4-17-39-23)29(24-10-5-18-40-24)27(22-19-32-15-16-34-22)26(21-8-3-14-37-38-21)30(25)31-35-12-6-13-36-31/h1-19H
InChIKeyNEJQOIGESNCWFK-UHFFFAOYSA-N
XLogP7.11
TPSA103.37 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.61
LogP ≤ 57.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

4-(furan-2-yl)-6-pyrazin-2-yl-8-pyridin-2-yl-7-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)-2-thiophen-2-yl-5-(triazin-4-yl)quinoline
CID 140998497
3-(Furan-2-yl)-4-pyrazin-2-yl-2-pyridazin-3-yl-2-pyridin-2-yl-5-pyrimidin-2-yl-4-thiophen-2-yl-1,3-oxazolidine
CID 141008266
7-Benzyl-5-(furan-2-yl)-8-phenyl-4-pyridin-2-yl-3-pyrimidin-2-yl-1-quinolin-2-yl-6-thiophen-2-ylisoquinoline
CID 141008286
4-[6-(Furan-2-yl)-4-naphthalen-1-yl-5-phenyl-3-pyridin-2-yl-2-pyrimidin-2-yl-5-thiophen-2-ylcyclohexa-1,3-dien-1-yl]triazine
CID 141055041
2-[2-(Furan-2-yl)-4-pyridin-2-ylthiophen-3-yl]pyrimidine
CID 141073692
2-[2-(1-Benzothiophen-2-yl)-7-(furan-2-yl)-4-pyridazin-3-yl-6-pyridin-2-yl-5-pyrimidin-2-yl-1-benzofuran-3-yl]pyrazine
CID 141087439
2-[5-(furan-2-yl)-5-pyridazin-3-yl-2-pyridin-2-yl-6-pyrimidin-2-yl-4-(1H-pyrrol-2-yl)-3-thiophen-2-ylcyclohexa-1,3-dien-1-yl]pyrazine
CID 141150929
4-(Furan-2-yl)-5-pyrazin-2-yl-6-pyridin-2-yl-2-thiophen-2-ylpyrimidine
CID 141164900
5-(1-Benzofuran-2-yl)-2-isoquinolin-1-yl-4-quinolin-2-yl-6-thiophen-2-ylquinazoline
CID 141175901
2-[4-(furan-2-yl)-2-pyridin-2-yl-5-thiophen-2-yl-1H-pyrrol-3-yl]pyrimidine
CID 141443750
2-[4-(Furan-2-yl)-5-pyrazin-2-yl-6-pyridin-2-yl-3-thiophen-2-yl-2-pyridinyl]pyrimidine
CID 141524596
Ethane;1-(6-methoxy-2-pyrimidin-2-yl-3-pyridinyl)-2-methylprop-2-en-1-one;2-[2-(2-methylprop-2-enoxymethyl)phenyl]pyrimidine;2-[2-(2-methylpropoxymethyl)thiophen-3-yl]pyrimidine
CID 144870356

Frequently Asked Questions

What is the IUPAC name of 2-[5-(furan-2-yl)-2-pyridazin-3-yl-4-pyridin-2-yl-3-pyrimidin-2-yl-6-thiophen-2-ylphenyl]pyrazine?
The IUPAC name of 2-[5-(furan-2-yl)-2-pyridazin-3-yl-4-pyridin-2-yl-3-pyrimidin-2-yl-6-thiophen-2-ylphenyl]pyrazine (CID 141006425) is 2-[5-(furan-2-yl)-2-pyridazin-3-yl-4-pyridin-2-yl-3-pyrimidin-2-yl-6-thiophen-2-ylphenyl]pyrazine.
What is the SMILES notation for 2-[5-(furan-2-yl)-2-pyridazin-3-yl-4-pyridin-2-yl-3-pyrimidin-2-yl-6-thiophen-2-ylphenyl]pyrazine?
The canonical SMILES for 2-[5-(furan-2-yl)-2-pyridazin-3-yl-4-pyridin-2-yl-3-pyrimidin-2-yl-6-thiophen-2-ylphenyl]pyrazine is c1ccc(-c2c(-c3ncccn3)c(-c3cccnn3)c(-c3cnccn3)c(-c3cccs3)c2-c2ccco2)nc1.
What is the InChIKey of 2-[5-(furan-2-yl)-2-pyridazin-3-yl-4-pyridin-2-yl-3-pyrimidin-2-yl-6-thiophen-2-ylphenyl]pyrazine?
The InChIKey is NEJQOIGESNCWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H19N7OS/c1-2-11-33-20(7-1)25-28(23-9-4-17-39-23)29(24-10-5-18-40-24)27(22-19-32-15-16-34-22)26(21-8-3-14-37-38-21)30(25)31-35-12-6-13-36-31/h1-19H.
What are the key properties of 2-[5-(furan-2-yl)-2-pyridazin-3-yl-4-pyridin-2-yl-3-pyrimidin-2-yl-6-thiophen-2-ylphenyl]pyrazine?
2-[5-(furan-2-yl)-2-pyridazin-3-yl-4-pyridin-2-yl-3-pyrimidin-2-yl-6-thiophen-2-ylphenyl]pyrazine has a molecular weight of 537.61 g/mol, XLogP of 7.11, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(furan-2-yl)-2-pyridazin-3-yl-4-pyridin-2-yl-3-pyrimidin-2-yl-6-thiophen-2-ylphenyl]pyrazine is sourced from PubChem (CID 141006425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).