8-[(3S,4S)-3-fluoropiperidin-4-yl]oxy-2-(7-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)quinoline

C26H22FN5O — CID 59176342

IUPAC8-[(3S,4S)-3-fluoropiperidin-4-yl]oxy-2-(7-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)quinoline
SMILESF[C@H]1CNCC[C@@H]1Oc1cccc2ccc(-c3cnc4cc(-c5cccnc5)ccn34)nc12
InChIInChI=1S/C26H22FN5O/c27-20-15-29-11-8-23(20)33-24-5-1-3-17-6-7-21(31-26(17)24)22-16-30-25-13-18(9-12-32(22)25)19-4-2-10-28-14-19/h1-7,9-10,12-14,16,20,23,29H,8,11,15H2/t20-,23-/m0/s1
InChIKeyBHTLCFNWNNFOFE-REWPJTCUSA-N
MW439.49 g/mol
LogP4.69
Rot. Bonds4

About 8-[(3S,4S)-3-fluoropiperidin-4-yl]oxy-2-(7-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)quinoline

8-[(3S,4S)-3-fluoropiperidin-4-yl]oxy-2-(7-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)quinoline (PubChem CID 59176342) has the molecular formula C26H22FN5O and a molecular weight of 439.49 g/mol. Its IUPAC name is 8-[(3S,4S)-3-fluoropiperidin-4-yl]oxy-2-(7-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)quinoline.

Molecular Properties

Compound Name8-[(3S,4S)-3-fluoropiperidin-4-yl]oxy-2-(7-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)quinoline
PubChem CID59176342
Molecular FormulaC26H22FN5O
Molecular Weight439.49 g/mol
Exact Mass439.18
IUPAC Name8-[(3S,4S)-3-fluoropiperidin-4-yl]oxy-2-(7-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)quinoline
SMILESF[C@H]1CNCC[C@@H]1Oc1cccc2ccc(-c3cnc4cc(-c5cccnc5)ccn34)nc12
InChIInChI=1S/C26H22FN5O/c27-20-15-29-11-8-23(20)33-24-5-1-3-17-6-7-21(31-26(17)24)22-16-30-25-13-18(9-12-32(22)25)19-4-2-10-28-14-19/h1-7,9-10,12-14,16,20,23,29H,8,11,15H2/t20-,23-/m0/s1
InChIKeyBHTLCFNWNNFOFE-REWPJTCUSA-N
XLogP4.69
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.49
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 8-[(3S,4S)-3-fluoropiperidin-4-yl]oxy-2-(7-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)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 8-[(3S,4S)-3-fluoropiperidin-4-yl]oxy-2-(7-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)quinoline?
The IUPAC name of 8-[(3S,4S)-3-fluoropiperidin-4-yl]oxy-2-(7-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)quinoline (CID 59176342) is 8-[(3S,4S)-3-fluoropiperidin-4-yl]oxy-2-(7-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)quinoline.
What is the SMILES notation for 8-[(3S,4S)-3-fluoropiperidin-4-yl]oxy-2-(7-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)quinoline?
The canonical SMILES for 8-[(3S,4S)-3-fluoropiperidin-4-yl]oxy-2-(7-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)quinoline is F[C@H]1CNCC[C@@H]1Oc1cccc2ccc(-c3cnc4cc(-c5cccnc5)ccn34)nc12.
What is the InChIKey of 8-[(3S,4S)-3-fluoropiperidin-4-yl]oxy-2-(7-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)quinoline?
The InChIKey is BHTLCFNWNNFOFE-REWPJTCUSA-N. The full InChI is InChI=1S/C26H22FN5O/c27-20-15-29-11-8-23(20)33-24-5-1-3-17-6-7-21(31-26(17)24)22-16-30-25-13-18(9-12-32(22)25)19-4-2-10-28-14-19/h1-7,9-10,12-14,16,20,23,29H,8,11,15H2/t20-,23-/m0/s1.
What are the key properties of 8-[(3S,4S)-3-fluoropiperidin-4-yl]oxy-2-(7-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)quinoline?
8-[(3S,4S)-3-fluoropiperidin-4-yl]oxy-2-(7-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)quinoline has a molecular weight of 439.49 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3S,4S)-3-fluoropiperidin-4-yl]oxy-2-(7-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)quinoline is sourced from PubChem (CID 59176342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).