6-[[(2S)-2-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]quinoline

C25H25FN4O — CID 92621366

IUPAC6-[[(2S)-2-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]quinoline
SMILESFc1ccccc1OCCc1cc([C@@H]2CCCN2Cc2ccc3ncccc3c2)n[nH]1
InChIInChI=1S/C25H25FN4O/c26-21-6-1-2-8-25(21)31-14-11-20-16-23(29-28-20)24-7-4-13-30(24)17-18-9-10-22-19(15-18)5-3-12-27-22/h1-3,5-6,8-10,12,15-16,24H,4,7,11,13-14,17H2,(H,28,29)/t24-/m0/s1
InChIKeyILAFSLUGIVIDJC-DEOSSOPVSA-N
MW416.50 g/mol
LogP5.06
Rot. Bonds7

About 6-[[(2S)-2-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]quinoline

6-[[(2S)-2-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]quinoline (PubChem CID 92621366) has the molecular formula C25H25FN4O and a molecular weight of 416.50 g/mol. Its IUPAC name is 6-[[(2S)-2-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]quinoline.

Molecular Properties

Compound Name6-[[(2S)-2-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]quinoline
PubChem CID92621366
Molecular FormulaC25H25FN4O
Molecular Weight416.50 g/mol
Exact Mass416.20
IUPAC Name6-[[(2S)-2-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]quinoline
SMILESFc1ccccc1OCCc1cc([C@@H]2CCCN2Cc2ccc3ncccc3c2)n[nH]1
InChIInChI=1S/C25H25FN4O/c26-21-6-1-2-8-25(21)31-14-11-20-16-23(29-28-20)24-7-4-13-30(24)17-18-9-10-22-19(15-18)5-3-12-27-22/h1-3,5-6,8-10,12,15-16,24H,4,7,11,13-14,17H2,(H,28,29)/t24-/m0/s1
InChIKeyILAFSLUGIVIDJC-DEOSSOPVSA-N
XLogP5.06
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.50
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[[(2S)-2-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]quinoline 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 6-[[(2S)-2-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]quinoline?
The IUPAC name of 6-[[(2S)-2-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]quinoline (CID 92621366) is 6-[[(2S)-2-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]quinoline.
What is the SMILES notation for 6-[[(2S)-2-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]quinoline?
The canonical SMILES for 6-[[(2S)-2-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]quinoline is Fc1ccccc1OCCc1cc([C@@H]2CCCN2Cc2ccc3ncccc3c2)n[nH]1.
What is the InChIKey of 6-[[(2S)-2-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]quinoline?
The InChIKey is ILAFSLUGIVIDJC-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H25FN4O/c26-21-6-1-2-8-25(21)31-14-11-20-16-23(29-28-20)24-7-4-13-30(24)17-18-9-10-22-19(15-18)5-3-12-27-22/h1-3,5-6,8-10,12,15-16,24H,4,7,11,13-14,17H2,(H,28,29)/t24-/m0/s1.
What are the key properties of 6-[[(2S)-2-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]quinoline?
6-[[(2S)-2-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]quinoline has a molecular weight of 416.50 g/mol, XLogP of 5.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2S)-2-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]quinoline is sourced from PubChem (CID 92621366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).