1-[[5-(4-fluorophenyl)-2-pyridinyl]-[5-(furan-2-yl)-1H-pyrazol-4-yl]methyl]pyrrolidin-3-ol

C23H21FN4O2 — CID 67523340

IUPAC1-[[5-(4-fluorophenyl)-2-pyridinyl]-[5-(furan-2-yl)-1H-pyrazol-4-yl]methyl]pyrrolidin-3-ol
SMILESOC1CCN(C(c2ccc(-c3ccc(F)cc3)cn2)c2cn[nH]c2-c2ccco2)C1
InChIInChI=1S/C23H21FN4O2/c24-17-6-3-15(4-7-17)16-5-8-20(25-12-16)23(28-10-9-18(29)14-28)19-13-26-27-22(19)21-2-1-11-30-21/h1-8,11-13,18,23,29H,9-10,14H2,(H,26,27)
InChIKeyPFYOJGUBDGGEHK-UHFFFAOYSA-N
MW404.45 g/mol
LogP4.03
Rot. Bonds5

About 1-[[5-(4-fluorophenyl)-2-pyridinyl]-[5-(furan-2-yl)-1H-pyrazol-4-yl]methyl]pyrrolidin-3-ol

1-[[5-(4-fluorophenyl)-2-pyridinyl]-[5-(furan-2-yl)-1H-pyrazol-4-yl]methyl]pyrrolidin-3-ol (PubChem CID 67523340) has the molecular formula C23H21FN4O2 and a molecular weight of 404.45 g/mol. Its IUPAC name is 1-[[5-(4-fluorophenyl)-2-pyridinyl]-[5-(furan-2-yl)-1H-pyrazol-4-yl]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[[5-(4-fluorophenyl)-2-pyridinyl]-[5-(furan-2-yl)-1H-pyrazol-4-yl]methyl]pyrrolidin-3-ol
PubChem CID67523340
Molecular FormulaC23H21FN4O2
Molecular Weight404.45 g/mol
Exact Mass404.16
IUPAC Name1-[[5-(4-fluorophenyl)-2-pyridinyl]-[5-(furan-2-yl)-1H-pyrazol-4-yl]methyl]pyrrolidin-3-ol
SMILESOC1CCN(C(c2ccc(-c3ccc(F)cc3)cn2)c2cn[nH]c2-c2ccco2)C1
InChIInChI=1S/C23H21FN4O2/c24-17-6-3-15(4-7-17)16-5-8-20(25-12-16)23(28-10-9-18(29)14-28)19-13-26-27-22(19)21-2-1-11-30-21/h1-8,11-13,18,23,29H,9-10,14H2,(H,26,27)
InChIKeyPFYOJGUBDGGEHK-UHFFFAOYSA-N
XLogP4.03
TPSA78.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.45
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(4-fluorophenyl)-2-pyridinyl]-[5-(furan-2-yl)-1H-pyrazol-4-yl]methyl]pyrrolidin-3-ol?
The IUPAC name of 1-[[5-(4-fluorophenyl)-2-pyridinyl]-[5-(furan-2-yl)-1H-pyrazol-4-yl]methyl]pyrrolidin-3-ol (CID 67523340) is 1-[[5-(4-fluorophenyl)-2-pyridinyl]-[5-(furan-2-yl)-1H-pyrazol-4-yl]methyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[[5-(4-fluorophenyl)-2-pyridinyl]-[5-(furan-2-yl)-1H-pyrazol-4-yl]methyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[[5-(4-fluorophenyl)-2-pyridinyl]-[5-(furan-2-yl)-1H-pyrazol-4-yl]methyl]pyrrolidin-3-ol is OC1CCN(C(c2ccc(-c3ccc(F)cc3)cn2)c2cn[nH]c2-c2ccco2)C1.
What is the InChIKey of 1-[[5-(4-fluorophenyl)-2-pyridinyl]-[5-(furan-2-yl)-1H-pyrazol-4-yl]methyl]pyrrolidin-3-ol?
The InChIKey is PFYOJGUBDGGEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O2/c24-17-6-3-15(4-7-17)16-5-8-20(25-12-16)23(28-10-9-18(29)14-28)19-13-26-27-22(19)21-2-1-11-30-21/h1-8,11-13,18,23,29H,9-10,14H2,(H,26,27).
What are the key properties of 1-[[5-(4-fluorophenyl)-2-pyridinyl]-[5-(furan-2-yl)-1H-pyrazol-4-yl]methyl]pyrrolidin-3-ol?
1-[[5-(4-fluorophenyl)-2-pyridinyl]-[5-(furan-2-yl)-1H-pyrazol-4-yl]methyl]pyrrolidin-3-ol has a molecular weight of 404.45 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(4-fluorophenyl)-2-pyridinyl]-[5-(furan-2-yl)-1H-pyrazol-4-yl]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 67523340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).