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

C33H25N13OS — CID 141068317

IUPAC2-[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
SMILESc1ccc(S2(c3ccc[nH]3)(c3ccn[nH]3)(c3ncc[nH]3)C(c3cccnn3)=C(c3ncccn3)C(c3cn[nH]n3)=C2c2ccco2)nc1
InChIInChI=1S/C33H25N13OS/c1-2-12-34-25(9-1)48(26-10-4-13-35-26,27-11-17-41-45-27,33-38-18-19-39-33)30(22-7-3-16-40-43-22)29(32-36-14-6-15-37-32)28(23-21-42-46-44-23)31(48)24-8-5-20-47-24/h1-21,35H,(H,38,39)(H,41,45)(H,42,44,46)
InChIKeyZWCPRMWEJYYQLY-UHFFFAOYSA-N
MW651.72 g/mol
LogP5.71
Rot. Bonds8

About 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

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 (PubChem CID 141068317) has the molecular formula C33H25N13OS and a molecular weight of 651.72 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID141068317
Molecular FormulaC33H25N13OS
Molecular Weight651.72 g/mol
Exact Mass651.20
IUPAC Name2-[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
SMILESc1ccc(S2(c3ccc[nH]3)(c3ccn[nH]3)(c3ncc[nH]3)C(c3cccnn3)=C(c3ncccn3)C(c3cn[nH]n3)=C2c2ccco2)nc1
InChIInChI=1S/C33H25N13OS/c1-2-12-34-25(9-1)48(26-10-4-13-35-26,27-11-17-41-45-27,33-38-18-19-39-33)30(22-7-3-16-40-43-22)29(32-36-14-6-15-37-32)28(23-21-42-46-44-23)31(48)24-8-5-20-47-24/h1-21,35H,(H,38,39)(H,41,45)(H,42,44,46)
InChIKeyZWCPRMWEJYYQLY-UHFFFAOYSA-N
XLogP5.71
TPSA192.31 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.72
LogP ≤ 55.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Related Compounds

1-(furan-2-yl)-4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-1,2-thiazole
CID 140996446
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
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-[1-(furan-2-yl)-6-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-5-pyridin-2-yl-2H-pyrimidin-4-yl]-1,3-thiazole
CID 141031533
5-[2-(furan-2-yl)-1-(1H-imidazol-2-yl)-1-(1H-pyrazol-5-yl)-4-(1H-1,2,4-triazol-5-yl)-5-(2H-triazol-4-yl)thiophen-3-yl]-2H-tetrazole
CID 141040224
4-[1-(furan-2-yl)-4-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-1,1-bis(1H-pyrrol-2-yl)-5-thiophen-2-yl-1,3-thiazol-1-yl]oxadiazole
CID 141071378
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
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
3-(furan-2-yl)-5-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-1-thiophen-2-yl-1,2-thiazole
CID 141145252
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(S2(c3ccc[nH]3)(c3ccn[nH]3)(c3ncc[nH]3)C(c3cccnn3)=C(c3ncccn3)C(c3cn[nH]n3)=C2c2ccco2)nc1.
What is the InChIKey of 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?
The InChIKey is ZWCPRMWEJYYQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25N13OS/c1-2-12-34-25(9-1)48(26-10-4-13-35-26,27-11-17-41-45-27,33-38-18-19-39-33)30(22-7-3-16-40-43-22)29(32-36-14-6-15-37-32)28(23-21-42-46-44-23)31(48)24-8-5-20-47-24/h1-21,35H,(H,38,39)(H,41,45)(H,42,44,46).
What are the key properties of 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?
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 has a molecular weight of 651.72 g/mol, XLogP of 5.71, 8 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 141068317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).