4-(furan-2-yl)-2-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-5-thiophen-2-ylpyridine

C20H14N4OS — CID 141307333

IUPAC4-(furan-2-yl)-2-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-5-thiophen-2-ylpyridine
SMILESc1c[nH]c(-c2c(-c3ccn[nH]3)ncc(-c3cccs3)c2-c2ccco2)c1
InChIInChI=1S/C20H14N4OS/c1-4-14(21-8-1)19-18(16-5-2-10-25-16)13(17-6-3-11-26-17)12-22-20(19)15-7-9-23-24-15/h1-12,21H,(H,23,24)
InChIKeyWDXOKEMJABYTAW-UHFFFAOYSA-N
MW358.43 g/mol
LogP5.46
Rot. Bonds4

About 4-(furan-2-yl)-2-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-5-thiophen-2-ylpyridine

4-(furan-2-yl)-2-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-5-thiophen-2-ylpyridine (PubChem CID 141307333) has the molecular formula C20H14N4OS and a molecular weight of 358.43 g/mol. Its IUPAC name is 4-(furan-2-yl)-2-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-5-thiophen-2-ylpyridine.

Molecular Properties

Compound Name4-(furan-2-yl)-2-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-5-thiophen-2-ylpyridine
PubChem CID141307333
Molecular FormulaC20H14N4OS
Molecular Weight358.43 g/mol
Exact Mass358.09
IUPAC Name4-(furan-2-yl)-2-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-5-thiophen-2-ylpyridine
SMILESc1c[nH]c(-c2c(-c3ccn[nH]3)ncc(-c3cccs3)c2-c2ccco2)c1
InChIInChI=1S/C20H14N4OS/c1-4-14(21-8-1)19-18(16-5-2-10-25-16)13(17-6-3-11-26-17)12-22-20(19)15-7-9-23-24-15/h1-12,21H,(H,23,24)
InChIKeyWDXOKEMJABYTAW-UHFFFAOYSA-N
XLogP5.46
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.43
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-1-pyridin-3-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine
CID 46953715
US11427558, Example 116
CID 155481781
N-[[3-[7-(2,4-difluoro-6-propan-2-yloxyphenyl)-4-(7-oxo-5,6-dihydropyrrolo[3,4-b]pyridin-3-yl)thieno[3,2-c]pyridin-6-yl]-1H-pyrazol-5-yl]methyl]-2-fluoroprop-2-enamide
CID 170098581
5-thiophen-2-yl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-1H-pyrazole-3-carboxamide
CID 55743995
2-(4,5-dimethylfuran-3-yl)-4-(3-hexylthiophen-2-yl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
CID 153445671
3-(2-methoxyphenyl)-N-((2-(thiophen-2-yl)pyridin-3-yl)methyl)-1H-pyrazole-5-carboxamide
CID 91625814
3-(furan-2-yl)-N-((5-(thiophen-2-yl)pyridin-3-yl)methyl)-1H-pyrazole-5-carboxamide
CID 91630659
4-(furan-3-yl)-3-thiophen-3-yl-1H-pyrazolo[4,3-c]pyridine
CID 132452775
1-[[3-(Furan-2-yl)-1-(4-thiophen-3-ylphenyl)pyrazol-4-yl]methyl]-4-methylpiperazine
CID 12133100
N-(1-amino-3-phenylpropan-2-yl)-4-(furan-3-yl)-5-(2-methylpyrazol-3-yl)thiophene-2-carboxamide
CID 24993748
3-(Aminomethyl)-1-[4-(furan-3-yl)-5-(2-methylpyrazol-3-yl)thiophen-2-yl]-4-phenylbutan-1-one
CID 58201449
3-[4-(Furan-2-ylmethylsulfanyl)-1H-pyrazol-3-yl]-pyridine
CID 67284057

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-2-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-5-thiophen-2-ylpyridine?
The IUPAC name of 4-(furan-2-yl)-2-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-5-thiophen-2-ylpyridine (CID 141307333) is 4-(furan-2-yl)-2-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-5-thiophen-2-ylpyridine.
What is the SMILES notation for 4-(furan-2-yl)-2-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-5-thiophen-2-ylpyridine?
The canonical SMILES for 4-(furan-2-yl)-2-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-5-thiophen-2-ylpyridine is c1c[nH]c(-c2c(-c3ccn[nH]3)ncc(-c3cccs3)c2-c2ccco2)c1.
What is the InChIKey of 4-(furan-2-yl)-2-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-5-thiophen-2-ylpyridine?
The InChIKey is WDXOKEMJABYTAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4OS/c1-4-14(21-8-1)19-18(16-5-2-10-25-16)13(17-6-3-11-26-17)12-22-20(19)15-7-9-23-24-15/h1-12,21H,(H,23,24).
What are the key properties of 4-(furan-2-yl)-2-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-5-thiophen-2-ylpyridine?
4-(furan-2-yl)-2-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-5-thiophen-2-ylpyridine has a molecular weight of 358.43 g/mol, XLogP of 5.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-2-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-5-thiophen-2-ylpyridine is sourced from PubChem (CID 141307333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).