2-[3-[8-[(3S,4S)-3-fluoropiperidin-4-yl]oxyquinolin-2-yl]imidazo[1,2-a]pyridin-7-yl]oxyethanol

C23H23FN4O3 — CID 59176335

IUPAC2-[3-[8-[(3S,4S)-3-fluoropiperidin-4-yl]oxyquinolin-2-yl]imidazo[1,2-a]pyridin-7-yl]oxyethanol
SMILESOCCOc1ccn2c(-c3ccc4cccc(O[C@H]5CCNC[C@@H]5F)c4n3)cnc2c1
InChIInChI=1S/C23H23FN4O3/c24-17-13-25-8-6-20(17)31-21-3-1-2-15-4-5-18(27-23(15)21)19-14-26-22-12-16(30-11-10-29)7-9-28(19)22/h1-5,7,9,12,14,17,20,25,29H,6,8,10-11,13H2/t17-,20-/m0/s1
InChIKeyCLEYIMMREBBHKP-PXNSSMCTSA-N
MW422.46 g/mol
LogP3.00
Rot. Bonds6

About 2-[3-[8-[(3S,4S)-3-fluoropiperidin-4-yl]oxyquinolin-2-yl]imidazo[1,2-a]pyridin-7-yl]oxyethanol

2-[3-[8-[(3S,4S)-3-fluoropiperidin-4-yl]oxyquinolin-2-yl]imidazo[1,2-a]pyridin-7-yl]oxyethanol (PubChem CID 59176335) has the molecular formula C23H23FN4O3 and a molecular weight of 422.46 g/mol. Its IUPAC name is 2-[3-[8-[(3S,4S)-3-fluoropiperidin-4-yl]oxyquinolin-2-yl]imidazo[1,2-a]pyridin-7-yl]oxyethanol.

Molecular Properties

Compound Name2-[3-[8-[(3S,4S)-3-fluoropiperidin-4-yl]oxyquinolin-2-yl]imidazo[1,2-a]pyridin-7-yl]oxyethanol
PubChem CID59176335
Molecular FormulaC23H23FN4O3
Molecular Weight422.46 g/mol
Exact Mass422.18
IUPAC Name2-[3-[8-[(3S,4S)-3-fluoropiperidin-4-yl]oxyquinolin-2-yl]imidazo[1,2-a]pyridin-7-yl]oxyethanol
SMILESOCCOc1ccn2c(-c3ccc4cccc(O[C@H]5CCNC[C@@H]5F)c4n3)cnc2c1
InChIInChI=1S/C23H23FN4O3/c24-17-13-25-8-6-20(17)31-21-3-1-2-15-4-5-18(27-23(15)21)19-14-26-22-12-16(30-11-10-29)7-9-28(19)22/h1-5,7,9,12,14,17,20,25,29H,6,8,10-11,13H2/t17-,20-/m0/s1
InChIKeyCLEYIMMREBBHKP-PXNSSMCTSA-N
XLogP3.00
TPSA80.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

8-[(3R,4R)-3-fluoropiperidin-4-yl]oxy-2-[7-(oxan-4-yloxy)imidazo[1,2-a]pyridin-3-yl]quinoline;dihydrochloride
CID 66782217
8-[(3S)-3-fluoropiperidin-4-yl]oxy-2-[7-[(3S)-oxolan-3-yl]oxyimidazo[1,2-a]pyridin-3-yl]quinoline
CID 59176310
8-[(3S)-3-fluoropiperidin-4-yl]oxy-2-[7-[(3R)-oxolan-3-yl]oxyimidazo[1,2-a]pyridin-3-yl]quinoline
CID 59176345
N-[(3S,4R)-3-fluoropiperidin-4-yl]-2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-amine
CID 66781550
3-fluoro-4-[2-(7-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)quinolin-8-yl]oxypiperidine-1-carboxylic acid
CID 66782036
2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-8-[(1-methylpyrrolidin-3-yl)methoxy]quinoline
CID 59176341
[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl] trifluoromethanesulfonate
CID 86642347
8-[(3S,4R)-3-fluoropiperidin-4-yl]oxy-2-(6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline;dihydrochloride
CID 67233730
benzyl (3S,4S)-3-fluoro-4-[6-fluoro-2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]oxypiperidine-1-carboxylate
CID 67302393
6-(7-cyclopropyloxyimidazo[1,2-a]pyridin-3-yl)-N-(4-fluoropiperidin-3-yl)pyridin-2-amine
CID 169129599
2-(6-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-8-[(3S,4R)-3-fluoropiperidin-4-yl]oxyquinoline;dihydrochloride
CID 67233960
6-[7-(difluoromethoxy)imidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-4-fluoropiperidin-3-yl]pyridin-2-amine
CID 166961592

Frequently Asked Questions

What is the IUPAC name of 2-[3-[8-[(3S,4S)-3-fluoropiperidin-4-yl]oxyquinolin-2-yl]imidazo[1,2-a]pyridin-7-yl]oxyethanol?
The IUPAC name of 2-[3-[8-[(3S,4S)-3-fluoropiperidin-4-yl]oxyquinolin-2-yl]imidazo[1,2-a]pyridin-7-yl]oxyethanol (CID 59176335) is 2-[3-[8-[(3S,4S)-3-fluoropiperidin-4-yl]oxyquinolin-2-yl]imidazo[1,2-a]pyridin-7-yl]oxyethanol.
What is the SMILES notation for 2-[3-[8-[(3S,4S)-3-fluoropiperidin-4-yl]oxyquinolin-2-yl]imidazo[1,2-a]pyridin-7-yl]oxyethanol?
The canonical SMILES for 2-[3-[8-[(3S,4S)-3-fluoropiperidin-4-yl]oxyquinolin-2-yl]imidazo[1,2-a]pyridin-7-yl]oxyethanol is OCCOc1ccn2c(-c3ccc4cccc(O[C@H]5CCNC[C@@H]5F)c4n3)cnc2c1.
What is the InChIKey of 2-[3-[8-[(3S,4S)-3-fluoropiperidin-4-yl]oxyquinolin-2-yl]imidazo[1,2-a]pyridin-7-yl]oxyethanol?
The InChIKey is CLEYIMMREBBHKP-PXNSSMCTSA-N. The full InChI is InChI=1S/C23H23FN4O3/c24-17-13-25-8-6-20(17)31-21-3-1-2-15-4-5-18(27-23(15)21)19-14-26-22-12-16(30-11-10-29)7-9-28(19)22/h1-5,7,9,12,14,17,20,25,29H,6,8,10-11,13H2/t17-,20-/m0/s1.
What are the key properties of 2-[3-[8-[(3S,4S)-3-fluoropiperidin-4-yl]oxyquinolin-2-yl]imidazo[1,2-a]pyridin-7-yl]oxyethanol?
2-[3-[8-[(3S,4S)-3-fluoropiperidin-4-yl]oxyquinolin-2-yl]imidazo[1,2-a]pyridin-7-yl]oxyethanol has a molecular weight of 422.46 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[8-[(3S,4S)-3-fluoropiperidin-4-yl]oxyquinolin-2-yl]imidazo[1,2-a]pyridin-7-yl]oxyethanol is sourced from PubChem (CID 59176335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).