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

C23H21FN4O2 — CID 67523339

IUPAC1-[[1-[5-(4-fluorophenyl)-2-pyridinyl]-5-(furan-2-yl)pyrazol-4-yl]methyl]pyrrolidin-3-ol
SMILESOC1CCN(Cc2cnn(-c3ccc(-c4ccc(F)cc4)cn3)c2-c2ccco2)C1
InChIInChI=1S/C23H21FN4O2/c24-19-6-3-16(4-7-19)17-5-8-22(25-12-17)28-23(21-2-1-11-30-21)18(13-26-28)14-27-10-9-20(29)15-27/h1-8,11-13,20,29H,9-10,14-15H2
InChIKeyRZPTZBJJUVKOOD-UHFFFAOYSA-N
MW404.45 g/mol
LogP3.90
Rot. Bonds5

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

1-[[1-[5-(4-fluorophenyl)-2-pyridinyl]-5-(furan-2-yl)pyrazol-4-yl]methyl]pyrrolidin-3-ol (PubChem CID 67523339) has the molecular formula C23H21FN4O2 and a molecular weight of 404.45 g/mol. Its IUPAC name is 1-[[1-[5-(4-fluorophenyl)-2-pyridinyl]-5-(furan-2-yl)pyrazol-4-yl]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[[1-[5-(4-fluorophenyl)-2-pyridinyl]-5-(furan-2-yl)pyrazol-4-yl]methyl]pyrrolidin-3-ol
PubChem CID67523339
Molecular FormulaC23H21FN4O2
Molecular Weight404.45 g/mol
Exact Mass404.16
IUPAC Name1-[[1-[5-(4-fluorophenyl)-2-pyridinyl]-5-(furan-2-yl)pyrazol-4-yl]methyl]pyrrolidin-3-ol
SMILESOC1CCN(Cc2cnn(-c3ccc(-c4ccc(F)cc4)cn3)c2-c2ccco2)C1
InChIInChI=1S/C23H21FN4O2/c24-19-6-3-16(4-7-19)17-5-8-22(25-12-17)28-23(21-2-1-11-30-21)18(13-26-28)14-27-10-9-20(29)15-27/h1-8,11-13,20,29H,9-10,14-15H2
InChIKeyRZPTZBJJUVKOOD-UHFFFAOYSA-N
XLogP3.90
TPSA67.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.45
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-[5-(4-fluorophenyl)-2-pyridinyl]-5-(furan-2-yl)pyrazol-4-yl]methyl]pyrrolidin-3-ol?
The IUPAC name of 1-[[1-[5-(4-fluorophenyl)-2-pyridinyl]-5-(furan-2-yl)pyrazol-4-yl]methyl]pyrrolidin-3-ol (CID 67523339) is 1-[[1-[5-(4-fluorophenyl)-2-pyridinyl]-5-(furan-2-yl)pyrazol-4-yl]methyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[[1-[5-(4-fluorophenyl)-2-pyridinyl]-5-(furan-2-yl)pyrazol-4-yl]methyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[[1-[5-(4-fluorophenyl)-2-pyridinyl]-5-(furan-2-yl)pyrazol-4-yl]methyl]pyrrolidin-3-ol is OC1CCN(Cc2cnn(-c3ccc(-c4ccc(F)cc4)cn3)c2-c2ccco2)C1.
What is the InChIKey of 1-[[1-[5-(4-fluorophenyl)-2-pyridinyl]-5-(furan-2-yl)pyrazol-4-yl]methyl]pyrrolidin-3-ol?
The InChIKey is RZPTZBJJUVKOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O2/c24-19-6-3-16(4-7-19)17-5-8-22(25-12-17)28-23(21-2-1-11-30-21)18(13-26-28)14-27-10-9-20(29)15-27/h1-8,11-13,20,29H,9-10,14-15H2.
What are the key properties of 1-[[1-[5-(4-fluorophenyl)-2-pyridinyl]-5-(furan-2-yl)pyrazol-4-yl]methyl]pyrrolidin-3-ol?
1-[[1-[5-(4-fluorophenyl)-2-pyridinyl]-5-(furan-2-yl)pyrazol-4-yl]methyl]pyrrolidin-3-ol has a molecular weight of 404.45 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[5-(4-fluorophenyl)-2-pyridinyl]-5-(furan-2-yl)pyrazol-4-yl]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 67523339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).