4-(furan-2-yl)-1-(1H-imidazol-2-yl)-1-pyrazin-2-yl-2-(1H-pyrazol-5-yl)-1-pyridazin-3-yl-1-pyridin-2-yl-5-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-3H-1,3-thiazole

C34H27N13OS — CID 141114803

IUPAC4-(furan-2-yl)-1-(1H-imidazol-2-yl)-1-pyrazin-2-yl-2-(1H-pyrazol-5-yl)-1-pyridazin-3-yl-1-pyridin-2-yl-5-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-3H-1,3-thiazole
SMILESc1ccc(S2(c3cnccn3)(c3cccnn3)(c3ncc[nH]3)C(c3ncccn3)=C(c3ccco3)NC2(c2ccc[nH]2)c2ccn[nH]2)nc1
InChIInChI=1S/C34H27N13OS/c1-2-12-37-27(9-1)49(33-41-20-21-42-33,28-10-4-16-43-47-28,29-23-35-18-19-38-29)31(32-39-14-6-15-40-32)30(24-7-5-22-48-24)45-34(49,25-8-3-13-36-25)26-11-17-44-46-26/h1-23,36,45H,(H,41,42)(H,44,46)
InChIKeyJRWXVXHYLBKZDJ-UHFFFAOYSA-N
MW665.75 g/mol
LogP5.26
Rot. Bonds8

About 4-(furan-2-yl)-1-(1H-imidazol-2-yl)-1-pyrazin-2-yl-2-(1H-pyrazol-5-yl)-1-pyridazin-3-yl-1-pyridin-2-yl-5-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-3H-1,3-thiazole

4-(furan-2-yl)-1-(1H-imidazol-2-yl)-1-pyrazin-2-yl-2-(1H-pyrazol-5-yl)-1-pyridazin-3-yl-1-pyridin-2-yl-5-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-3H-1,3-thiazole (PubChem CID 141114803) has the molecular formula C34H27N13OS and a molecular weight of 665.75 g/mol. Its IUPAC name is 4-(furan-2-yl)-1-(1H-imidazol-2-yl)-1-pyrazin-2-yl-2-(1H-pyrazol-5-yl)-1-pyridazin-3-yl-1-pyridin-2-yl-5-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-3H-1,3-thiazole.

Molecular Properties

Compound Name4-(furan-2-yl)-1-(1H-imidazol-2-yl)-1-pyrazin-2-yl-2-(1H-pyrazol-5-yl)-1-pyridazin-3-yl-1-pyridin-2-yl-5-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-3H-1,3-thiazole
PubChem CID141114803
Molecular FormulaC34H27N13OS
Molecular Weight665.75 g/mol
Exact Mass665.22
IUPAC Name4-(furan-2-yl)-1-(1H-imidazol-2-yl)-1-pyrazin-2-yl-2-(1H-pyrazol-5-yl)-1-pyridazin-3-yl-1-pyridin-2-yl-5-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-3H-1,3-thiazole
SMILESc1ccc(S2(c3cnccn3)(c3cccnn3)(c3ncc[nH]3)C(c3ncccn3)=C(c3ccco3)NC2(c2ccc[nH]2)c2ccn[nH]2)nc1
InChIInChI=1S/C34H27N13OS/c1-2-12-37-27(9-1)49(33-41-20-21-42-33,28-10-4-16-43-47-28,29-23-35-18-19-38-29)31(32-39-14-6-15-40-32)30(24-7-5-22-48-24)45-34(49,25-8-3-13-36-25)26-11-17-44-46-26/h1-23,36,45H,(H,41,42)(H,44,46)
InChIKeyJRWXVXHYLBKZDJ-UHFFFAOYSA-N
XLogP5.26
TPSA188.55 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms49
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500665.75
LogP ≤ 55.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze 4-(furan-2-yl)-1-(1H-imidazol-2-yl)-1-pyrazin-2-yl-2-(1H-pyrazol-5-yl)-1-pyridazin-3-yl-1-pyridin-2-yl-5-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-3H-1,3-thiazole with MolForge

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Launch Full Analysis

Related Compounds

3-{5-[1-(2-furylmethyl)-1H-imidazol-2-yl]-2-thienyl}-1H-pyrazole
CID 56748164
2-[4-(1,3-diazinan-1-yl)-5-(furan-2-yl)-2-pyrazin-2-yl-1-(1H-pyrazol-5-yl)-1-pyridin-2-ylthiophen-3-yl]pyrimidine
CID 140996912
2-[2-(furan-2-yl)-1-(1H-imidazol-2-yl)-3-(1H-pyrazol-5-yl)-5-pyridin-2-yl-2-pyrimidin-2-yl-3H-pyrrol-4-yl]-1,3-thiazole
CID 140998060
4-[4-(furan-2-yl)-2-piperazin-1-yl-1-pyridin-2-yl-1-pyrimidin-2-yl-5-(1H-pyrrol-2-yl)thiophen-3-yl]triazine
CID 140999265
2-[5-(furan-2-yl)-1-(1H-imidazol-2-yl)-1-(1H-pyrazol-5-yl)-2-pyridazin-3-yl-1-pyridin-2-yl-1-(1H-pyrrol-2-yl)-4-(2H-triazol-4-yl)thiophen-3-yl]pyrimidine
CID 141068317
5-(furan-2-yl)-2-(1H-imidazol-2-yl)-1-pyrazin-2-yl-4-(1H-pyrazol-5-yl)-1-pyridazin-3-yl-1-pyridin-2-yl-1-pyrimidin-2-yl-3-(1,3-thiazol-2-yl)-3H-1,2-thiazole
CID 141114805
1-(furan-2-yl)-1-pyrazin-2-yl-1-(1H-pyrazol-5-yl)-2-pyridazin-3-yl-3-pyridin-2-yl-1-pyrimidin-2-yl-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)thiadiazole
CID 141114814
2-[2-(furan-2-yl)-1-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-2-pyridin-2-yl-5-(1H-pyrrol-2-yl)-3-thiophen-2-yl-4H-pyrimidin-6-yl]-1,3-thiazole
CID 141151192
6-(furan-2-yl)-3-(1H-imidazol-2-yl)-1-(1H-pyrazol-5-yl)-4-pyridin-2-yl-3-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-5-thiophen-2-yl-4H-pyridazine
CID 141151562
3-[2-(furan-2-yl)-5-(1H-imidazol-2-yl)-3-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-1-(thiadiazol-4-yl)thiophen-1-yl]-1,2,5-thiadiazole
CID 141181900
5-(furan-2-yl)-3-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-2-pyridin-2-yl-3-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-6-thiophen-2-yl-1H-pyrazine
CID 141203736
6-(furan-2-yl)-2-(1H-imidazol-2-yl)-1-(1H-pyrazol-5-yl)-4-pyridin-2-yl-3-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)-5-thiophen-2-yl-4H-pyridazine
CID 141203758

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-1-(1H-imidazol-2-yl)-1-pyrazin-2-yl-2-(1H-pyrazol-5-yl)-1-pyridazin-3-yl-1-pyridin-2-yl-5-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-3H-1,3-thiazole?
The IUPAC name of 4-(furan-2-yl)-1-(1H-imidazol-2-yl)-1-pyrazin-2-yl-2-(1H-pyrazol-5-yl)-1-pyridazin-3-yl-1-pyridin-2-yl-5-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-3H-1,3-thiazole (CID 141114803) is 4-(furan-2-yl)-1-(1H-imidazol-2-yl)-1-pyrazin-2-yl-2-(1H-pyrazol-5-yl)-1-pyridazin-3-yl-1-pyridin-2-yl-5-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-3H-1,3-thiazole.
What is the SMILES notation for 4-(furan-2-yl)-1-(1H-imidazol-2-yl)-1-pyrazin-2-yl-2-(1H-pyrazol-5-yl)-1-pyridazin-3-yl-1-pyridin-2-yl-5-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-3H-1,3-thiazole?
The canonical SMILES for 4-(furan-2-yl)-1-(1H-imidazol-2-yl)-1-pyrazin-2-yl-2-(1H-pyrazol-5-yl)-1-pyridazin-3-yl-1-pyridin-2-yl-5-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-3H-1,3-thiazole is c1ccc(S2(c3cnccn3)(c3cccnn3)(c3ncc[nH]3)C(c3ncccn3)=C(c3ccco3)NC2(c2ccc[nH]2)c2ccn[nH]2)nc1.
What is the InChIKey of 4-(furan-2-yl)-1-(1H-imidazol-2-yl)-1-pyrazin-2-yl-2-(1H-pyrazol-5-yl)-1-pyridazin-3-yl-1-pyridin-2-yl-5-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-3H-1,3-thiazole?
The InChIKey is JRWXVXHYLBKZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H27N13OS/c1-2-12-37-27(9-1)49(33-41-20-21-42-33,28-10-4-16-43-47-28,29-23-35-18-19-38-29)31(32-39-14-6-15-40-32)30(24-7-5-22-48-24)45-34(49,25-8-3-13-36-25)26-11-17-44-46-26/h1-23,36,45H,(H,41,42)(H,44,46).
What are the key properties of 4-(furan-2-yl)-1-(1H-imidazol-2-yl)-1-pyrazin-2-yl-2-(1H-pyrazol-5-yl)-1-pyridazin-3-yl-1-pyridin-2-yl-5-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-3H-1,3-thiazole?
4-(furan-2-yl)-1-(1H-imidazol-2-yl)-1-pyrazin-2-yl-2-(1H-pyrazol-5-yl)-1-pyridazin-3-yl-1-pyridin-2-yl-5-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-3H-1,3-thiazole has a molecular weight of 665.75 g/mol, XLogP of 5.26, 8 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-1-(1H-imidazol-2-yl)-1-pyrazin-2-yl-2-(1H-pyrazol-5-yl)-1-pyridazin-3-yl-1-pyridin-2-yl-5-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-3H-1,3-thiazole is sourced from PubChem (CID 141114803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).