5-(oxolan-2-yl)-1-[4-(1H-pyrazol-5-yl)furan-2-yl]-2-pyrrolidin-1-yl-4-(1H-pyrrol-2-yl)imidazole

C22H24N6O2 — CID 141012990

IUPAC5-(oxolan-2-yl)-1-[4-(1H-pyrazol-5-yl)furan-2-yl]-2-pyrrolidin-1-yl-4-(1H-pyrrol-2-yl)imidazole
SMILESc1c[nH]c(-c2nc(N3CCCC3)n(-c3cc(-c4ccn[nH]4)co3)c2C2CCCO2)c1
InChIInChI=1S/C22H24N6O2/c1-2-11-27(10-1)22-25-20(17-5-3-8-23-17)21(18-6-4-12-29-18)28(22)19-13-15(14-30-19)16-7-9-24-26-16/h3,5,7-9,13-14,18,23H,1-2,4,6,10-12H2,(H,24,26)
InChIKeyLAFXGWJDQTZBPT-UHFFFAOYSA-N
MW404.47 g/mol
LogP4.30
Rot. Bonds5

About 5-(oxolan-2-yl)-1-[4-(1H-pyrazol-5-yl)furan-2-yl]-2-pyrrolidin-1-yl-4-(1H-pyrrol-2-yl)imidazole

5-(oxolan-2-yl)-1-[4-(1H-pyrazol-5-yl)furan-2-yl]-2-pyrrolidin-1-yl-4-(1H-pyrrol-2-yl)imidazole (PubChem CID 141012990) has the molecular formula C22H24N6O2 and a molecular weight of 404.47 g/mol. Its IUPAC name is 5-(oxolan-2-yl)-1-[4-(1H-pyrazol-5-yl)furan-2-yl]-2-pyrrolidin-1-yl-4-(1H-pyrrol-2-yl)imidazole.

Molecular Properties

Compound Name5-(oxolan-2-yl)-1-[4-(1H-pyrazol-5-yl)furan-2-yl]-2-pyrrolidin-1-yl-4-(1H-pyrrol-2-yl)imidazole
PubChem CID141012990
Molecular FormulaC22H24N6O2
Molecular Weight404.47 g/mol
Exact Mass404.20
IUPAC Name5-(oxolan-2-yl)-1-[4-(1H-pyrazol-5-yl)furan-2-yl]-2-pyrrolidin-1-yl-4-(1H-pyrrol-2-yl)imidazole
SMILESc1c[nH]c(-c2nc(N3CCCC3)n(-c3cc(-c4ccn[nH]4)co3)c2C2CCCO2)c1
InChIInChI=1S/C22H24N6O2/c1-2-11-27(10-1)22-25-20(17-5-3-8-23-17)21(18-6-4-12-29-18)28(22)19-13-15(14-30-19)16-7-9-24-26-16/h3,5,7-9,13-14,18,23H,1-2,4,6,10-12H2,(H,24,26)
InChIKeyLAFXGWJDQTZBPT-UHFFFAOYSA-N
XLogP4.30
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2-(tert-butyl)-3-(1H-pyrrol-1-yl)pyrrolo[3,4-c]pyrazol-5(2H,4H,6H)-yl)(3-(furan-2-yl)-1H-pyrazol-5-yl)methanone
CID 52417185
3-[4-phenyl-5-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]propan-1-ol
CID 50956519
4-[[4-phenyl-5-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]methyl]piperidine
CID 50956995
5-cyclopropyl-3-{[5-(3-furyl)-4-phenyl-1H-imidazol-1-yl]methyl}-1H-pyrazole
CID 50975957
1-ethyl-3,5-dimethyl-4-({2-[5-(1H-pyrazol-3-yl)-2-furyl]-1H-imidazol-1-yl}methyl)-1H-pyrazole
CID 56876890
3-(4-fluorophenyl)-N-(2-(6-(furan-2-yl)-1H-imidazo[1,2-b]pyrazol-1-yl)ethyl)-1-methyl-1H-pyrazole-5-carboxamide
CID 76148373
1-(1-isobutyl-1H-imidazol-5-yl)-N-{[5-(1H-pyrazol-3-yl)-2-furyl]methyl}methanamine
CID 131943588
2-methyl-5-[[4-phenyl-5-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]methyl]pyrazine
CID 50952225
2-[4-phenyl-5-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]-1-pyridin-3-ylethanol
CID 50962786
3-{5-[1-(2-furylmethyl)-1H-imidazol-2-yl]-2-furyl}-1H-pyrazole
CID 56743515
3,5-dimethyl-1-(2-{2-[5-(1H-pyrazol-3-yl)-2-furyl]-1H-imidazol-1-yl}propyl)-1H-pyrazole
CID 56862617
1-(2-{2-[5-(1H-pyrazol-3-yl)-2-furyl]-1H-imidazol-1-yl}ethyl)pyrrolidin-2-one
CID 56869324

Frequently Asked Questions

What is the IUPAC name of 5-(oxolan-2-yl)-1-[4-(1H-pyrazol-5-yl)furan-2-yl]-2-pyrrolidin-1-yl-4-(1H-pyrrol-2-yl)imidazole?
The IUPAC name of 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) is 5-(oxolan-2-yl)-1-[4-(1H-pyrazol-5-yl)furan-2-yl]-2-pyrrolidin-1-yl-4-(1H-pyrrol-2-yl)imidazole.
What is the SMILES notation for 5-(oxolan-2-yl)-1-[4-(1H-pyrazol-5-yl)furan-2-yl]-2-pyrrolidin-1-yl-4-(1H-pyrrol-2-yl)imidazole?
The canonical SMILES for 5-(oxolan-2-yl)-1-[4-(1H-pyrazol-5-yl)furan-2-yl]-2-pyrrolidin-1-yl-4-(1H-pyrrol-2-yl)imidazole is c1c[nH]c(-c2nc(N3CCCC3)n(-c3cc(-c4ccn[nH]4)co3)c2C2CCCO2)c1.
What is the InChIKey of 5-(oxolan-2-yl)-1-[4-(1H-pyrazol-5-yl)furan-2-yl]-2-pyrrolidin-1-yl-4-(1H-pyrrol-2-yl)imidazole?
The InChIKey is LAFXGWJDQTZBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O2/c1-2-11-27(10-1)22-25-20(17-5-3-8-23-17)21(18-6-4-12-29-18)28(22)19-13-15(14-30-19)16-7-9-24-26-16/h3,5,7-9,13-14,18,23H,1-2,4,6,10-12H2,(H,24,26).
What are the key properties of 5-(oxolan-2-yl)-1-[4-(1H-pyrazol-5-yl)furan-2-yl]-2-pyrrolidin-1-yl-4-(1H-pyrrol-2-yl)imidazole?
5-(oxolan-2-yl)-1-[4-(1H-pyrazol-5-yl)furan-2-yl]-2-pyrrolidin-1-yl-4-(1H-pyrrol-2-yl)imidazole has a molecular weight of 404.47 g/mol, XLogP of 4.30, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxolan-2-yl)-1-[4-(1H-pyrazol-5-yl)furan-2-yl]-2-pyrrolidin-1-yl-4-(1H-pyrrol-2-yl)imidazole is sourced from PubChem (CID 141012990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).