2-(3-pyridazin-3-yl-2-pyridin-2-yl-4-pyrimidin-2-yl-2-thiophen-2-yl-3H-furan-5-yl)pyrazine

C25H17N7OS — CID 141344335

IUPAC2-(3-pyridazin-3-yl-2-pyridin-2-yl-4-pyrimidin-2-yl-2-thiophen-2-yl-3H-furan-5-yl)pyrazine
SMILESc1ccc(C2(c3cccs3)OC(c3cnccn3)=C(c3ncccn3)C2c2cccnn2)nc1
InChIInChI=1S/C25H17N7OS/c1-2-9-28-19(7-1)25(20-8-4-15-34-20)22(17-6-3-12-31-32-17)21(24-29-10-5-11-30-24)23(33-25)18-16-26-13-14-27-18/h1-16,22H
InChIKeyUWIMZWZCPINGMB-UHFFFAOYSA-N
MW463.53 g/mol
LogP4.14
Rot. Bonds5

About 2-(3-pyridazin-3-yl-2-pyridin-2-yl-4-pyrimidin-2-yl-2-thiophen-2-yl-3H-furan-5-yl)pyrazine

2-(3-pyridazin-3-yl-2-pyridin-2-yl-4-pyrimidin-2-yl-2-thiophen-2-yl-3H-furan-5-yl)pyrazine (PubChem CID 141344335) has the molecular formula C25H17N7OS and a molecular weight of 463.53 g/mol. Its IUPAC name is 2-(3-pyridazin-3-yl-2-pyridin-2-yl-4-pyrimidin-2-yl-2-thiophen-2-yl-3H-furan-5-yl)pyrazine.

Molecular Properties

Compound Name2-(3-pyridazin-3-yl-2-pyridin-2-yl-4-pyrimidin-2-yl-2-thiophen-2-yl-3H-furan-5-yl)pyrazine
PubChem CID141344335
Molecular FormulaC25H17N7OS
Molecular Weight463.53 g/mol
Exact Mass463.12
IUPAC Name2-(3-pyridazin-3-yl-2-pyridin-2-yl-4-pyrimidin-2-yl-2-thiophen-2-yl-3H-furan-5-yl)pyrazine
SMILESc1ccc(C2(c3cccs3)OC(c3cnccn3)=C(c3ncccn3)C2c2cccnn2)nc1
InChIInChI=1S/C25H17N7OS/c1-2-9-28-19(7-1)25(20-8-4-15-34-20)22(17-6-3-12-31-32-17)21(24-29-10-5-11-30-24)23(33-25)18-16-26-13-14-27-18/h1-16,22H
InChIKeyUWIMZWZCPINGMB-UHFFFAOYSA-N
XLogP4.14
TPSA99.46 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.53
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

2-phenyl-4-pyridin-2-yl-2-pyrimidin-2-yl-5-thiophen-2-yl-3H-1,3-oxazole
CID 140979833
5-Pyrazin-2-yl-2-pyridazin-3-yl-4-pyridin-2-yl-3-pyrimidin-2-yl-2-(1,3-thiazol-2-yl)-4-thiophen-2-yl-1,3-oxazolidine
CID 140999362
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
6-(1,3-Benzothiazol-2-yl)-4-piperidin-1-yl-3-pyrazin-2-yl-3-pyridazin-3-yl-2-pyridin-2-yl-2-pyrimidin-2-yl-6-(1,3-thiazolidin-2-yl)morpholine
CID 141054313
2-(6-pyridazin-3-yl-3-pyridin-2-yl-5-pyrimidin-2-yl-3,6-dihydro-2H-pyran-4-yl)pyrazine
CID 141075803
4-(4-pyrazin-2-yl-3-pyridazin-3-yl-2-pyridin-2-yl-5-pyrimidin-2-yl-3H-furan-2-yl)triazine
CID 141175823
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
1'-(6-Methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)-2-pyrazin-2-ylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
CID 177883973
1'-(6-Methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)-2-pyrazin-2-ylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 177885403

Frequently Asked Questions

What is the IUPAC name of 2-(3-pyridazin-3-yl-2-pyridin-2-yl-4-pyrimidin-2-yl-2-thiophen-2-yl-3H-furan-5-yl)pyrazine?
The IUPAC name of 2-(3-pyridazin-3-yl-2-pyridin-2-yl-4-pyrimidin-2-yl-2-thiophen-2-yl-3H-furan-5-yl)pyrazine (CID 141344335) is 2-(3-pyridazin-3-yl-2-pyridin-2-yl-4-pyrimidin-2-yl-2-thiophen-2-yl-3H-furan-5-yl)pyrazine.
What is the SMILES notation for 2-(3-pyridazin-3-yl-2-pyridin-2-yl-4-pyrimidin-2-yl-2-thiophen-2-yl-3H-furan-5-yl)pyrazine?
The canonical SMILES for 2-(3-pyridazin-3-yl-2-pyridin-2-yl-4-pyrimidin-2-yl-2-thiophen-2-yl-3H-furan-5-yl)pyrazine is c1ccc(C2(c3cccs3)OC(c3cnccn3)=C(c3ncccn3)C2c2cccnn2)nc1.
What is the InChIKey of 2-(3-pyridazin-3-yl-2-pyridin-2-yl-4-pyrimidin-2-yl-2-thiophen-2-yl-3H-furan-5-yl)pyrazine?
The InChIKey is UWIMZWZCPINGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17N7OS/c1-2-9-28-19(7-1)25(20-8-4-15-34-20)22(17-6-3-12-31-32-17)21(24-29-10-5-11-30-24)23(33-25)18-16-26-13-14-27-18/h1-16,22H.
What are the key properties of 2-(3-pyridazin-3-yl-2-pyridin-2-yl-4-pyrimidin-2-yl-2-thiophen-2-yl-3H-furan-5-yl)pyrazine?
2-(3-pyridazin-3-yl-2-pyridin-2-yl-4-pyrimidin-2-yl-2-thiophen-2-yl-3H-furan-5-yl)pyrazine has a molecular weight of 463.53 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-pyridazin-3-yl-2-pyridin-2-yl-4-pyrimidin-2-yl-2-thiophen-2-yl-3H-furan-5-yl)pyrazine is sourced from PubChem (CID 141344335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).