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

C26H29FN4O3 — CID 66781424

IUPAC8-[(3S,4S)-1-ethyl-3-fluoropiperidin-4-yl]oxy-2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinoline
SMILESCCN1CC[C@H](Oc2cccc3ccc(-c4cnc5cc(OCCOC)ccn45)nc23)[C@@H](F)C1
InChIInChI=1S/C26H29FN4O3/c1-3-30-11-10-23(20(27)17-30)34-24-6-4-5-18-7-8-21(29-26(18)24)22-16-28-25-15-19(9-12-31(22)25)33-14-13-32-2/h4-9,12,15-16,20,23H,3,10-11,13-14,17H2,1-2H3/t20-,23-/m0/s1
InChIKeyAADYTTDFFQOMQO-REWPJTCUSA-N
MW464.54 g/mol
LogP4.39
Rot. Bonds8

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

8-[(3S,4S)-1-ethyl-3-fluoropiperidin-4-yl]oxy-2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinoline (PubChem CID 66781424) has the molecular formula C26H29FN4O3 and a molecular weight of 464.54 g/mol. Its IUPAC name is 8-[(3S,4S)-1-ethyl-3-fluoropiperidin-4-yl]oxy-2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinoline.

Molecular Properties

Compound Name8-[(3S,4S)-1-ethyl-3-fluoropiperidin-4-yl]oxy-2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinoline
PubChem CID66781424
Molecular FormulaC26H29FN4O3
Molecular Weight464.54 g/mol
Exact Mass464.22
IUPAC Name8-[(3S,4S)-1-ethyl-3-fluoropiperidin-4-yl]oxy-2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinoline
SMILESCCN1CC[C@H](Oc2cccc3ccc(-c4cnc5cc(OCCOC)ccn45)nc23)[C@@H](F)C1
InChIInChI=1S/C26H29FN4O3/c1-3-30-11-10-23(20(27)17-30)34-24-6-4-5-18-7-8-21(29-26(18)24)22-16-28-25-15-19(9-12-31(22)25)33-14-13-32-2/h4-9,12,15-16,20,23H,3,10-11,13-14,17H2,1-2H3/t20-,23-/m0/s1
InChIKeyAADYTTDFFQOMQO-REWPJTCUSA-N
XLogP4.39
TPSA61.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.54
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 8-[(3S,4S)-1-ethyl-3-fluoropiperidin-4-yl]oxy-2-[7-(2-methoxyethoxy)imidazo[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)-1-ethyl-3-fluoropiperidin-4-yl]oxy-2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinoline?
The IUPAC name of 8-[(3S,4S)-1-ethyl-3-fluoropiperidin-4-yl]oxy-2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinoline (CID 66781424) is 8-[(3S,4S)-1-ethyl-3-fluoropiperidin-4-yl]oxy-2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinoline.
What is the SMILES notation for 8-[(3S,4S)-1-ethyl-3-fluoropiperidin-4-yl]oxy-2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinoline?
The canonical SMILES for 8-[(3S,4S)-1-ethyl-3-fluoropiperidin-4-yl]oxy-2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinoline is CCN1CC[C@H](Oc2cccc3ccc(-c4cnc5cc(OCCOC)ccn45)nc23)[C@@H](F)C1.
What is the InChIKey of 8-[(3S,4S)-1-ethyl-3-fluoropiperidin-4-yl]oxy-2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinoline?
The InChIKey is AADYTTDFFQOMQO-REWPJTCUSA-N. The full InChI is InChI=1S/C26H29FN4O3/c1-3-30-11-10-23(20(27)17-30)34-24-6-4-5-18-7-8-21(29-26(18)24)22-16-28-25-15-19(9-12-31(22)25)33-14-13-32-2/h4-9,12,15-16,20,23H,3,10-11,13-14,17H2,1-2H3/t20-,23-/m0/s1.
What are the key properties of 8-[(3S,4S)-1-ethyl-3-fluoropiperidin-4-yl]oxy-2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinoline?
8-[(3S,4S)-1-ethyl-3-fluoropiperidin-4-yl]oxy-2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinoline has a molecular weight of 464.54 g/mol, XLogP of 4.39, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3S,4S)-1-ethyl-3-fluoropiperidin-4-yl]oxy-2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinoline is sourced from PubChem (CID 66781424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).