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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ag-24322
CID 135413565
N-[4-(dimethylphosphoryl)phenyl]-9-[(E)-2-(5-methyl-1H-indazol-4-yl)ethenyl]-9H-purin-6-amine
CID 44517648
3-(1H-Indazol-5-yl)-N-propylimidazo(1,2-b)pyridazin-6-amine
CID 70679308
7-Fluoro-4-(5-Methyl-3h-Imidazo[4,5-B]pyridin-6-Yl)-2,4-Dihydropyrazolo[4,3-B]indole
CID 73426341
Ido/tdo-IN-1
CID 122650373
3-[5-(Piperidin-1-ylmethyl)-1h-indol-2-yl]-6-(1h-1,2,3-triazol-1-yl)-1h-indazole
CID 135559064
N-[1-[1-[(3-fluorophenyl)methyl]imidazol-2-yl]-2-(7-methyl-1H-indazol-5-yl)ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
CID 11250445
N-[1-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]-2-(7-methyl-1H-indazol-5-yl)ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
CID 11250446
N-[1-[1-[(3,5-difluorophenyl)methyl]imidazol-2-yl]-2-(7-methyl-1H-indazol-5-yl)ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
CID 11411030
N-[2-(7-methyl-1H-indazol-5-yl)-1-[1-(2-phenylethyl)imidazol-2-yl]ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
CID 11456201
6-[6-(1H-pyrazol-4-yl)-[1,2,3]triazolo[4,5-b]pyrazin-1-ylmethyl]-quinoline
CID 24851953
N-[1-(1-benzylimidazol-2-yl)-2-(7-methyl-1H-indazol-5-yl)ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
CID 57794685

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).