3-(furan-2-yl)-5-(1H-imidazol-2-yl)-1-phenyl-4-(1H-pyrazol-5-yl)-6-(1H-pyrrol-2-yl)-2-thiophen-2-yl-2H-pyridine

C29H22N6OS — CID 141203743

IUPAC3-(furan-2-yl)-5-(1H-imidazol-2-yl)-1-phenyl-4-(1H-pyrazol-5-yl)-6-(1H-pyrrol-2-yl)-2-thiophen-2-yl-2H-pyridine
SMILESc1ccc(N2C(c3ccc[nH]3)=C(c3ncc[nH]3)C(c3ccn[nH]3)=C(c3ccco3)C2c2cccs2)cc1
InChIInChI=1S/C29H22N6OS/c1-2-7-19(8-3-1)35-27(21-9-4-13-30-21)26(29-31-15-16-32-29)24(20-12-14-33-34-20)25(22-10-5-17-36-22)28(35)23-11-6-18-37-23/h1-18,28,30H,(H,31,32)(H,33,34)
InChIKeyTWKKDVKFWVJNSU-UHFFFAOYSA-N
MW502.60 g/mol
LogP6.86
Rot. Bonds6

About 3-(furan-2-yl)-5-(1H-imidazol-2-yl)-1-phenyl-4-(1H-pyrazol-5-yl)-6-(1H-pyrrol-2-yl)-2-thiophen-2-yl-2H-pyridine

3-(furan-2-yl)-5-(1H-imidazol-2-yl)-1-phenyl-4-(1H-pyrazol-5-yl)-6-(1H-pyrrol-2-yl)-2-thiophen-2-yl-2H-pyridine (PubChem CID 141203743) has the molecular formula C29H22N6OS and a molecular weight of 502.60 g/mol. Its IUPAC name is 3-(furan-2-yl)-5-(1H-imidazol-2-yl)-1-phenyl-4-(1H-pyrazol-5-yl)-6-(1H-pyrrol-2-yl)-2-thiophen-2-yl-2H-pyridine.

Molecular Properties

Compound Name3-(furan-2-yl)-5-(1H-imidazol-2-yl)-1-phenyl-4-(1H-pyrazol-5-yl)-6-(1H-pyrrol-2-yl)-2-thiophen-2-yl-2H-pyridine
PubChem CID141203743
Molecular FormulaC29H22N6OS
Molecular Weight502.60 g/mol
Exact Mass502.16
IUPAC Name3-(furan-2-yl)-5-(1H-imidazol-2-yl)-1-phenyl-4-(1H-pyrazol-5-yl)-6-(1H-pyrrol-2-yl)-2-thiophen-2-yl-2H-pyridine
SMILESc1ccc(N2C(c3ccc[nH]3)=C(c3ncc[nH]3)C(c3ccn[nH]3)=C(c3ccco3)C2c2cccs2)cc1
InChIInChI=1S/C29H22N6OS/c1-2-7-19(8-3-1)35-27(21-9-4-13-30-21)26(29-31-15-16-32-29)24(20-12-14-33-34-20)25(22-10-5-17-36-22)28(35)23-11-6-18-37-23/h1-18,28,30H,(H,31,32)(H,33,34)
InChIKeyTWKKDVKFWVJNSU-UHFFFAOYSA-N
XLogP6.86
TPSA89.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.60
LogP ≤ 56.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-(furan-2-yl)-5-(1H-imidazol-2-yl)-1-phenyl-4-(1H-pyrazol-5-yl)-6-(1H-pyrrol-2-yl)-2-thiophen-2-yl-2H-pyridine with MolForge

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Related Compounds

(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
3-{5-[1-(2-furylmethyl)-1H-imidazol-2-yl]-2-thienyl}-1H-pyrazole
CID 56748164
1H-benzimidazole;1-benzofuran;1-benzothiophene;1H-indazole;1H-indole
CID 67067518
6-(furan-2-yl)-N-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridine-2-carboxamide;N-thiophen-3-yl-6-(1H-1,2,4-triazol-5-yl)imidazo[1,2-a]pyridine-2-carboxamide
CID 68408141
1-benzofuran;1-benzothiophene;1H-indazole;7H-purine;quinoline
CID 68641188
4-[2-[3-(1H-pyrrol-2-yl)-4-thiophen-2-ylfuran-2-yl]-1H-imidazol-5-yl]-2H-triazole
CID 136655709
1-[5-[2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-2-yl]ethanone
CID 137110252
1-[5-[2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-2-yl]ethanone
CID 137312594
5-(furan-2-yl)-2-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-2-(2H-tetrazol-5-yl)-4-thiophen-2-yl-4-(2H-triazol-4-yl)-1,3-oxazolidine
CID 140977163
1-(furan-2-yl)-3-(1H-imidazol-2-yl)-4-(1H-pyrrol-2-yl)-5-thiophen-2-ylpyrazole
CID 140977165
5-(furan-2-yl)-2-(1H-imidazol-2-yl)-4-phenyl-4-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-2-thiophen-2-yl-1,3-oxazolidine
CID 140987548
5-(furan-2-yl)-5-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-2-(2H-tetrazol-5-yl)-4-thiophen-2-yl-4-(2H-triazol-4-yl)-1,3-oxazolidine
CID 140993070

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-5-(1H-imidazol-2-yl)-1-phenyl-4-(1H-pyrazol-5-yl)-6-(1H-pyrrol-2-yl)-2-thiophen-2-yl-2H-pyridine?
The IUPAC name of 3-(furan-2-yl)-5-(1H-imidazol-2-yl)-1-phenyl-4-(1H-pyrazol-5-yl)-6-(1H-pyrrol-2-yl)-2-thiophen-2-yl-2H-pyridine (CID 141203743) is 3-(furan-2-yl)-5-(1H-imidazol-2-yl)-1-phenyl-4-(1H-pyrazol-5-yl)-6-(1H-pyrrol-2-yl)-2-thiophen-2-yl-2H-pyridine.
What is the SMILES notation for 3-(furan-2-yl)-5-(1H-imidazol-2-yl)-1-phenyl-4-(1H-pyrazol-5-yl)-6-(1H-pyrrol-2-yl)-2-thiophen-2-yl-2H-pyridine?
The canonical SMILES for 3-(furan-2-yl)-5-(1H-imidazol-2-yl)-1-phenyl-4-(1H-pyrazol-5-yl)-6-(1H-pyrrol-2-yl)-2-thiophen-2-yl-2H-pyridine is c1ccc(N2C(c3ccc[nH]3)=C(c3ncc[nH]3)C(c3ccn[nH]3)=C(c3ccco3)C2c2cccs2)cc1.
What is the InChIKey of 3-(furan-2-yl)-5-(1H-imidazol-2-yl)-1-phenyl-4-(1H-pyrazol-5-yl)-6-(1H-pyrrol-2-yl)-2-thiophen-2-yl-2H-pyridine?
The InChIKey is TWKKDVKFWVJNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22N6OS/c1-2-7-19(8-3-1)35-27(21-9-4-13-30-21)26(29-31-15-16-32-29)24(20-12-14-33-34-20)25(22-10-5-17-36-22)28(35)23-11-6-18-37-23/h1-18,28,30H,(H,31,32)(H,33,34).
What are the key properties of 3-(furan-2-yl)-5-(1H-imidazol-2-yl)-1-phenyl-4-(1H-pyrazol-5-yl)-6-(1H-pyrrol-2-yl)-2-thiophen-2-yl-2H-pyridine?
3-(furan-2-yl)-5-(1H-imidazol-2-yl)-1-phenyl-4-(1H-pyrazol-5-yl)-6-(1H-pyrrol-2-yl)-2-thiophen-2-yl-2H-pyridine has a molecular weight of 502.60 g/mol, XLogP of 6.86, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-5-(1H-imidazol-2-yl)-1-phenyl-4-(1H-pyrazol-5-yl)-6-(1H-pyrrol-2-yl)-2-thiophen-2-yl-2H-pyridine is sourced from PubChem (CID 141203743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).