5-[3-(1-benzylpyrrolidin-3-yl)-5-(4-fluorophenyl)imidazol-4-yl]-1H-indazole

C27H24FN5 — CID 25165482

IUPAC5-[3-(1-benzylpyrrolidin-3-yl)-5-(4-fluorophenyl)imidazol-4-yl]-1H-indazole
SMILESFc1ccc(-c2ncn(C3CCN(Cc4ccccc4)C3)c2-c2ccc3[nH]ncc3c2)cc1
InChIInChI=1S/C27H24FN5/c28-23-9-6-20(7-10-23)26-27(21-8-11-25-22(14-21)15-30-31-25)33(18-29-26)24-12-13-32(17-24)16-19-4-2-1-3-5-19/h1-11,14-15,18,24H,12-13,16-17H2,(H,30,31)
InChIKeyPJNPAVYZHHPABL-UHFFFAOYSA-N
MW437.52 g/mol
LogP5.68
Rot. Bonds5

About 5-[3-(1-benzylpyrrolidin-3-yl)-5-(4-fluorophenyl)imidazol-4-yl]-1H-indazole

5-[3-(1-benzylpyrrolidin-3-yl)-5-(4-fluorophenyl)imidazol-4-yl]-1H-indazole (PubChem CID 25165482) has the molecular formula C27H24FN5 and a molecular weight of 437.52 g/mol. Its IUPAC name is 5-[3-(1-benzylpyrrolidin-3-yl)-5-(4-fluorophenyl)imidazol-4-yl]-1H-indazole.

Molecular Properties

Compound Name5-[3-(1-benzylpyrrolidin-3-yl)-5-(4-fluorophenyl)imidazol-4-yl]-1H-indazole
PubChem CID25165482
Molecular FormulaC27H24FN5
Molecular Weight437.52 g/mol
Exact Mass437.20
IUPAC Name5-[3-(1-benzylpyrrolidin-3-yl)-5-(4-fluorophenyl)imidazol-4-yl]-1H-indazole
SMILESFc1ccc(-c2ncn(C3CCN(Cc4ccccc4)C3)c2-c2ccc3[nH]ncc3c2)cc1
InChIInChI=1S/C27H24FN5/c28-23-9-6-20(7-10-23)26-27(21-8-11-25-22(14-21)15-30-31-25)33(18-29-26)24-12-13-32(17-24)16-19-4-2-1-3-5-19/h1-11,14-15,18,24H,12-13,16-17H2,(H,30,31)
InChIKeyPJNPAVYZHHPABL-UHFFFAOYSA-N
XLogP5.68
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.52
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(1-benzylpyrrolidin-3-yl)-5-(4-fluorophenyl)imidazol-4-yl]-1H-indazole?
The IUPAC name of 5-[3-(1-benzylpyrrolidin-3-yl)-5-(4-fluorophenyl)imidazol-4-yl]-1H-indazole (CID 25165482) is 5-[3-(1-benzylpyrrolidin-3-yl)-5-(4-fluorophenyl)imidazol-4-yl]-1H-indazole.
What is the SMILES notation for 5-[3-(1-benzylpyrrolidin-3-yl)-5-(4-fluorophenyl)imidazol-4-yl]-1H-indazole?
The canonical SMILES for 5-[3-(1-benzylpyrrolidin-3-yl)-5-(4-fluorophenyl)imidazol-4-yl]-1H-indazole is Fc1ccc(-c2ncn(C3CCN(Cc4ccccc4)C3)c2-c2ccc3[nH]ncc3c2)cc1.
What is the InChIKey of 5-[3-(1-benzylpyrrolidin-3-yl)-5-(4-fluorophenyl)imidazol-4-yl]-1H-indazole?
The InChIKey is PJNPAVYZHHPABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FN5/c28-23-9-6-20(7-10-23)26-27(21-8-11-25-22(14-21)15-30-31-25)33(18-29-26)24-12-13-32(17-24)16-19-4-2-1-3-5-19/h1-11,14-15,18,24H,12-13,16-17H2,(H,30,31).
What are the key properties of 5-[3-(1-benzylpyrrolidin-3-yl)-5-(4-fluorophenyl)imidazol-4-yl]-1H-indazole?
5-[3-(1-benzylpyrrolidin-3-yl)-5-(4-fluorophenyl)imidazol-4-yl]-1H-indazole has a molecular weight of 437.52 g/mol, XLogP of 5.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(1-benzylpyrrolidin-3-yl)-5-(4-fluorophenyl)imidazol-4-yl]-1H-indazole is sourced from PubChem (CID 25165482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).