2-[1-(furan-2-yl)-4-(1H-imidazol-2-yl)-5-thiophen-2-ylpyrazol-3-yl]pyrimidine

C18H12N6OS — CID 141327110

IUPAC2-[1-(furan-2-yl)-4-(1H-imidazol-2-yl)-5-thiophen-2-ylpyrazol-3-yl]pyrimidine
SMILESc1cnc(-c2nn(-c3ccco3)c(-c3cccs3)c2-c2ncc[nH]2)nc1
InChIInChI=1S/C18H12N6OS/c1-5-13(25-10-1)24-16(12-4-2-11-26-12)14(17-21-8-9-22-17)15(23-24)18-19-6-3-7-20-18/h1-11H,(H,21,22)
InChIKeyVPYZFUMYTRNGJE-UHFFFAOYSA-N
MW360.40 g/mol
LogP4.04
Rot. Bonds4

About 2-[1-(furan-2-yl)-4-(1H-imidazol-2-yl)-5-thiophen-2-ylpyrazol-3-yl]pyrimidine

2-[1-(furan-2-yl)-4-(1H-imidazol-2-yl)-5-thiophen-2-ylpyrazol-3-yl]pyrimidine (PubChem CID 141327110) has the molecular formula C18H12N6OS and a molecular weight of 360.40 g/mol. Its IUPAC name is 2-[1-(furan-2-yl)-4-(1H-imidazol-2-yl)-5-thiophen-2-ylpyrazol-3-yl]pyrimidine.

Molecular Properties

Compound Name2-[1-(furan-2-yl)-4-(1H-imidazol-2-yl)-5-thiophen-2-ylpyrazol-3-yl]pyrimidine
PubChem CID141327110
Molecular FormulaC18H12N6OS
Molecular Weight360.40 g/mol
Exact Mass360.08
IUPAC Name2-[1-(furan-2-yl)-4-(1H-imidazol-2-yl)-5-thiophen-2-ylpyrazol-3-yl]pyrimidine
SMILESc1cnc(-c2nn(-c3ccco3)c(-c3cccs3)c2-c2ncc[nH]2)nc1
InChIInChI=1S/C18H12N6OS/c1-5-13(25-10-1)24-16(12-4-2-11-26-12)14(17-21-8-9-22-17)15(23-24)18-19-6-3-7-20-18/h1-11H,(H,21,22)
InChIKeyVPYZFUMYTRNGJE-UHFFFAOYSA-N
XLogP4.04
TPSA85.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[1-(furan-2-yl)-4-(1H-imidazol-2-yl)-5-thiophen-2-ylpyrazol-3-yl]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[5-(Furan-3-yl)thiophen-2-yl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine
CID 164610903
(5Z)-5-(furan-2-ylmethylidene)-2-[3-(5-imidazol-1-yl-3-methyl-1-phenylpyrazol-4-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one
CID 122183068
2-(difluoromethyl)-5-[5-[[4-(6-methoxy-1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]methyl]thiophen-2-yl]-1,3,4-oxadiazole
CID 170733902
3-(furan-3-yl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
CID 126475785
1-(furan-2-yl)-5-(1H-pyrrol-2-yl)-4-thiophen-2-ylimidazole
CID 54189058
N-(furan-2-yl)-2-imidazol-1-yl-N-methyl-5-thiophen-2-ylpyrimidin-4-amine
CID 54315974
2-[2-[4-(1H-imidazol-2-yl)-5-pyrazin-2-ylpyridazin-3-yl]thiophen-3-yl]-4-(3-pyrimidin-2-yl-2-pyridinyl)-1,3-oxazole
CID 54550762
furan;2-(furan-2-yl)-3-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-5-thiophen-2-yl-1,2-oxazole;1H-imidazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;thiophene
CID 67212847
N-(furan-2-yl)-2-imidazol-1-yl-N-methyl-5-thiophen-2-ylpyrimidin-4-amine;hydrochloride
CID 67769554
N-[2-[bis(furan-3-ylmethyl)amino]ethyl]-3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophene-2-carboxamide
CID 70795641
2-[3-(furan-2-yl)-4-(1H-pyrrol-2-yl)thiophen-2-yl]pyrimidine
CID 91802818
1-(furan-2-yl)-3-(1H-imidazol-2-yl)-4-(1H-pyrrol-2-yl)-5-thiophen-2-ylpyrazole
CID 140977165

Frequently Asked Questions

What is the IUPAC name of 2-[1-(furan-2-yl)-4-(1H-imidazol-2-yl)-5-thiophen-2-ylpyrazol-3-yl]pyrimidine?
The IUPAC name of 2-[1-(furan-2-yl)-4-(1H-imidazol-2-yl)-5-thiophen-2-ylpyrazol-3-yl]pyrimidine (CID 141327110) is 2-[1-(furan-2-yl)-4-(1H-imidazol-2-yl)-5-thiophen-2-ylpyrazol-3-yl]pyrimidine.
What is the SMILES notation for 2-[1-(furan-2-yl)-4-(1H-imidazol-2-yl)-5-thiophen-2-ylpyrazol-3-yl]pyrimidine?
The canonical SMILES for 2-[1-(furan-2-yl)-4-(1H-imidazol-2-yl)-5-thiophen-2-ylpyrazol-3-yl]pyrimidine is c1cnc(-c2nn(-c3ccco3)c(-c3cccs3)c2-c2ncc[nH]2)nc1.
What is the InChIKey of 2-[1-(furan-2-yl)-4-(1H-imidazol-2-yl)-5-thiophen-2-ylpyrazol-3-yl]pyrimidine?
The InChIKey is VPYZFUMYTRNGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N6OS/c1-5-13(25-10-1)24-16(12-4-2-11-26-12)14(17-21-8-9-22-17)15(23-24)18-19-6-3-7-20-18/h1-11H,(H,21,22).
What are the key properties of 2-[1-(furan-2-yl)-4-(1H-imidazol-2-yl)-5-thiophen-2-ylpyrazol-3-yl]pyrimidine?
2-[1-(furan-2-yl)-4-(1H-imidazol-2-yl)-5-thiophen-2-ylpyrazol-3-yl]pyrimidine has a molecular weight of 360.40 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(furan-2-yl)-4-(1H-imidazol-2-yl)-5-thiophen-2-ylpyrazol-3-yl]pyrimidine is sourced from PubChem (CID 141327110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).