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

C28H31N5O4 — CID 141056958

IUPAC1-(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
SMILESC1=COC(N2C(C3CCCCO3)=C(c3ccc[nH]3)N(c3ccco3)C2(c2ccn[nH]2)C2CCCO2)C=C1
InChIInChI=1S/C28H31N5O4/c1-3-16-34-21(9-1)27-26(20-8-5-14-29-20)32(25-12-7-19-37-25)28(22-13-15-30-31-22,23-10-6-18-35-23)33(27)24-11-2-4-17-36-24/h2,4-5,7-8,11-15,17,19,21,23-24,29H,1,3,6,9-10,16,18H2,(H,30,31)
InChIKeyHXLSNHQBLYFTKG-UHFFFAOYSA-N
MW501.59 g/mol
LogP4.85
Rot. Bonds6

About 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

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 (PubChem CID 141056958) has the molecular formula C28H31N5O4 and a molecular weight of 501.59 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-(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
PubChem CID141056958
Molecular FormulaC28H31N5O4
Molecular Weight501.59 g/mol
Exact Mass501.24
IUPAC Name1-(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
SMILESC1=COC(N2C(C3CCCCO3)=C(c3ccc[nH]3)N(c3ccco3)C2(c2ccn[nH]2)C2CCCO2)C=C1
InChIInChI=1S/C28H31N5O4/c1-3-16-34-21(9-1)27-26(20-8-5-14-29-20)32(25-12-7-19-37-25)28(22-13-15-30-31-22,23-10-6-18-35-23)33(27)24-11-2-4-17-36-24/h2,4-5,7-8,11-15,17,19,21,23-24,29H,1,3,6,9-10,16,18H2,(H,30,31)
InChIKeyHXLSNHQBLYFTKG-UHFFFAOYSA-N
XLogP4.85
TPSA91.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.59
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

5-(oxolan-2-yl)-1-[4-(1H-pyrazol-5-yl)furan-2-yl]-2-pyrrolidin-1-yl-4-(1H-pyrrol-2-yl)imidazole
CID 141012990
2-[1-(furan-2-yl)-3-(2H-pyran-2-yl)-5-(1H-pyrazol-5-yl)-6-(1H-pyrrol-2-yl)-2-(2H-triazol-4-yl)-2H-pyridin-4-yl]pyrazine
CID 141196733
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
2-[5-(furan-2-ylmethyl)-2-(oxetan-2-yl)-4-[2-(1H-pyrazol-5-yl)ethyl]-3-pyrrolidin-1-yl-1H-imidazol-2-yl]pyridine
CID 141203760
(5S)-5-[[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl-(pyridin-2-ylmethyl)amino]methyl]pyrrolidin-2-one
CID 77093380
(3-(furan-2-yl)-1H-pyrazol-5-yl)(3-(pyridin-2-yloxy)pyrrolidin-1-yl)methanone
CID 92087240

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C1=COC(N2C(C3CCCCO3)=C(c3ccc[nH]3)N(c3ccco3)C2(c2ccn[nH]2)C2CCCO2)C=C1.
What is the InChIKey of 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?
The InChIKey is HXLSNHQBLYFTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N5O4/c1-3-16-34-21(9-1)27-26(20-8-5-14-29-20)32(25-12-7-19-37-25)28(22-13-15-30-31-22,23-10-6-18-35-23)33(27)24-11-2-4-17-36-24/h2,4-5,7-8,11-15,17,19,21,23-24,29H,1,3,6,9-10,16,18H2,(H,30,31).
What are the key properties of 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?
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 has a molecular weight of 501.59 g/mol, XLogP of 4.85, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 141056958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).