5-(1,3-dibenzylpyrrolidin-3-yl)-1-(4-fluorophenyl)-6-methylindazole

C32H30FN3 — CID 166916702

IUPAC5-(1,3-dibenzylpyrrolidin-3-yl)-1-(4-fluorophenyl)-6-methylindazole
SMILESCc1cc2c(cnn2-c2ccc(F)cc2)cc1C1(Cc2ccccc2)CCN(Cc2ccccc2)C1
InChIInChI=1S/C32H30FN3/c1-24-18-31-27(21-34-36(31)29-14-12-28(33)13-15-29)19-30(24)32(20-25-8-4-2-5-9-25)16-17-35(23-32)22-26-10-6-3-7-11-26/h2-15,18-19,21H,16-17,20,22-23H2,1H3
InChIKeySBJMPHMFFYOYJB-UHFFFAOYSA-N
MW475.61 g/mol
LogP6.86
Rot. Bonds6

About 5-(1,3-dibenzylpyrrolidin-3-yl)-1-(4-fluorophenyl)-6-methylindazole

5-(1,3-dibenzylpyrrolidin-3-yl)-1-(4-fluorophenyl)-6-methylindazole (PubChem CID 166916702) has the molecular formula C32H30FN3 and a molecular weight of 475.61 g/mol. Its IUPAC name is 5-(1,3-dibenzylpyrrolidin-3-yl)-1-(4-fluorophenyl)-6-methylindazole.

Molecular Properties

Compound Name5-(1,3-dibenzylpyrrolidin-3-yl)-1-(4-fluorophenyl)-6-methylindazole
PubChem CID166916702
Molecular FormulaC32H30FN3
Molecular Weight475.61 g/mol
Exact Mass475.24
IUPAC Name5-(1,3-dibenzylpyrrolidin-3-yl)-1-(4-fluorophenyl)-6-methylindazole
SMILESCc1cc2c(cnn2-c2ccc(F)cc2)cc1C1(Cc2ccccc2)CCN(Cc2ccccc2)C1
InChIInChI=1S/C32H30FN3/c1-24-18-31-27(21-34-36(31)29-14-12-28(33)13-15-29)19-30(24)32(20-25-8-4-2-5-9-25)16-17-35(23-32)22-26-10-6-3-7-11-26/h2-15,18-19,21H,16-17,20,22-23H2,1H3
InChIKeySBJMPHMFFYOYJB-UHFFFAOYSA-N
XLogP6.86
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.61
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(1,3-dibenzylpyrrolidin-3-yl)-1-(4-fluorophenyl)-6-methylindazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-dibenzylpyrrolidin-3-yl)-1-(4-fluorophenyl)-6-methylindazole?
The IUPAC name of 5-(1,3-dibenzylpyrrolidin-3-yl)-1-(4-fluorophenyl)-6-methylindazole (CID 166916702) is 5-(1,3-dibenzylpyrrolidin-3-yl)-1-(4-fluorophenyl)-6-methylindazole.
What is the SMILES notation for 5-(1,3-dibenzylpyrrolidin-3-yl)-1-(4-fluorophenyl)-6-methylindazole?
The canonical SMILES for 5-(1,3-dibenzylpyrrolidin-3-yl)-1-(4-fluorophenyl)-6-methylindazole is Cc1cc2c(cnn2-c2ccc(F)cc2)cc1C1(Cc2ccccc2)CCN(Cc2ccccc2)C1.
What is the InChIKey of 5-(1,3-dibenzylpyrrolidin-3-yl)-1-(4-fluorophenyl)-6-methylindazole?
The InChIKey is SBJMPHMFFYOYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30FN3/c1-24-18-31-27(21-34-36(31)29-14-12-28(33)13-15-29)19-30(24)32(20-25-8-4-2-5-9-25)16-17-35(23-32)22-26-10-6-3-7-11-26/h2-15,18-19,21H,16-17,20,22-23H2,1H3.
What are the key properties of 5-(1,3-dibenzylpyrrolidin-3-yl)-1-(4-fluorophenyl)-6-methylindazole?
5-(1,3-dibenzylpyrrolidin-3-yl)-1-(4-fluorophenyl)-6-methylindazole has a molecular weight of 475.61 g/mol, XLogP of 6.86, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-dibenzylpyrrolidin-3-yl)-1-(4-fluorophenyl)-6-methylindazole is sourced from PubChem (CID 166916702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).