2-[3-(furan-2-yl)-4-(oxolan-2-yl)-2-(1H-pyrazol-5-yl)-5-thiophen-2-yl-1H-imidazol-2-yl]pyridine

C23H21N5O2S — CID 141203638

IUPAC2-[3-(furan-2-yl)-4-(oxolan-2-yl)-2-(1H-pyrazol-5-yl)-5-thiophen-2-yl-1H-imidazol-2-yl]pyridine
SMILESc1ccc(C2(c3ccn[nH]3)NC(c3cccs3)=C(C3CCCO3)N2c2ccco2)nc1
InChIInChI=1S/C23H21N5O2S/c1-2-11-24-18(8-1)23(19-10-12-25-27-19)26-21(17-7-5-15-31-17)22(16-6-3-13-29-16)28(23)20-9-4-14-30-20/h1-2,4-5,7-12,14-16,26H,3,6,13H2,(H,25,27)
InChIKeyCZCCPKCAUOJYCA-UHFFFAOYSA-N
MW431.52 g/mol
LogP4.32
Rot. Bonds5

About 2-[3-(furan-2-yl)-4-(oxolan-2-yl)-2-(1H-pyrazol-5-yl)-5-thiophen-2-yl-1H-imidazol-2-yl]pyridine

2-[3-(furan-2-yl)-4-(oxolan-2-yl)-2-(1H-pyrazol-5-yl)-5-thiophen-2-yl-1H-imidazol-2-yl]pyridine (PubChem CID 141203638) has the molecular formula C23H21N5O2S and a molecular weight of 431.52 g/mol. Its IUPAC name is 2-[3-(furan-2-yl)-4-(oxolan-2-yl)-2-(1H-pyrazol-5-yl)-5-thiophen-2-yl-1H-imidazol-2-yl]pyridine.

Molecular Properties

Compound Name2-[3-(furan-2-yl)-4-(oxolan-2-yl)-2-(1H-pyrazol-5-yl)-5-thiophen-2-yl-1H-imidazol-2-yl]pyridine
PubChem CID141203638
Molecular FormulaC23H21N5O2S
Molecular Weight431.52 g/mol
Exact Mass431.14
IUPAC Name2-[3-(furan-2-yl)-4-(oxolan-2-yl)-2-(1H-pyrazol-5-yl)-5-thiophen-2-yl-1H-imidazol-2-yl]pyridine
SMILESc1ccc(C2(c3ccn[nH]3)NC(c3cccs3)=C(C3CCCO3)N2c2ccco2)nc1
InChIInChI=1S/C23H21N5O2S/c1-2-11-24-18(8-1)23(19-10-12-25-27-19)26-21(17-7-5-15-31-17)22(16-6-3-13-29-16)28(23)20-9-4-14-30-20/h1-2,4-5,7-12,14-16,26H,3,6,13H2,(H,25,27)
InChIKeyCZCCPKCAUOJYCA-UHFFFAOYSA-N
XLogP4.32
TPSA79.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.52
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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
2-(furan-2-yl)-3-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-5-thiophen-2-yl-3H-1,2-oxazole
CID 140977813
2-[1-(furan-2-yl)-2-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-3-(thiolan-2-yl)-5-thiophen-2-ylimidazol-2-yl]pyrimidine
CID 140999701
4-(furan-2-ylmethyl)-5-(1H-pyrazol-5-ylmethyl)-3-pyrimidin-2-yl-2-(thiophen-2-ylmethyl)-2-(triazin-4-yl)-1,3-oxazole
CID 141003429
3-(furan-2-yl)-4-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-2-thiophen-2-yl-1,3-oxazole
CID 141048956
1-(furan-2-yl)-4-(oxan-2-yl)-2-(oxolan-2-yl)-3-(2H-pyran-2-yl)-2-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)imidazole
CID 141056958
2-[1-cyclohex-2-en-1-ylsulfanyl-3-(furan-2-yl)-2-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-4-thiophen-2-ylimidazol-2-yl]pyrimidine
CID 141099672
2-[1-(furan-2-yl)-3-(2H-pyran-2-yl)-5-(1H-pyrazol-5-yl)-6-(1H-pyrrol-2-yl)-2-thiophen-2-yl-2-(2H-triazol-4-yl)-4-pyridinyl]pyrazine
CID 141196716
1-(furan-2-yl)-2-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-4-thiophen-2-ylimidazole
CID 141214135
1-(furan-2-yl)-2-naphthalen-1-yl-3-phenyl-2-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-5-thiophen-2-ylimidazole
CID 141284664
2-[1-(furan-2-yl)-5-(2H-pyran-2-yl)-3-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-5-thiophen-2-yltriazolidin-4-yl]pyrazine
CID 141307330
N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55743899

Frequently Asked Questions

What is the IUPAC name of 2-[3-(furan-2-yl)-4-(oxolan-2-yl)-2-(1H-pyrazol-5-yl)-5-thiophen-2-yl-1H-imidazol-2-yl]pyridine?
The IUPAC name of 2-[3-(furan-2-yl)-4-(oxolan-2-yl)-2-(1H-pyrazol-5-yl)-5-thiophen-2-yl-1H-imidazol-2-yl]pyridine (CID 141203638) is 2-[3-(furan-2-yl)-4-(oxolan-2-yl)-2-(1H-pyrazol-5-yl)-5-thiophen-2-yl-1H-imidazol-2-yl]pyridine.
What is the SMILES notation for 2-[3-(furan-2-yl)-4-(oxolan-2-yl)-2-(1H-pyrazol-5-yl)-5-thiophen-2-yl-1H-imidazol-2-yl]pyridine?
The canonical SMILES for 2-[3-(furan-2-yl)-4-(oxolan-2-yl)-2-(1H-pyrazol-5-yl)-5-thiophen-2-yl-1H-imidazol-2-yl]pyridine is c1ccc(C2(c3ccn[nH]3)NC(c3cccs3)=C(C3CCCO3)N2c2ccco2)nc1.
What is the InChIKey of 2-[3-(furan-2-yl)-4-(oxolan-2-yl)-2-(1H-pyrazol-5-yl)-5-thiophen-2-yl-1H-imidazol-2-yl]pyridine?
The InChIKey is CZCCPKCAUOJYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2S/c1-2-11-24-18(8-1)23(19-10-12-25-27-19)26-21(17-7-5-15-31-17)22(16-6-3-13-29-16)28(23)20-9-4-14-30-20/h1-2,4-5,7-12,14-16,26H,3,6,13H2,(H,25,27).
What are the key properties of 2-[3-(furan-2-yl)-4-(oxolan-2-yl)-2-(1H-pyrazol-5-yl)-5-thiophen-2-yl-1H-imidazol-2-yl]pyridine?
2-[3-(furan-2-yl)-4-(oxolan-2-yl)-2-(1H-pyrazol-5-yl)-5-thiophen-2-yl-1H-imidazol-2-yl]pyridine has a molecular weight of 431.52 g/mol, XLogP of 4.32, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(furan-2-yl)-4-(oxolan-2-yl)-2-(1H-pyrazol-5-yl)-5-thiophen-2-yl-1H-imidazol-2-yl]pyridine is sourced from PubChem (CID 141203638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).