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

C26H21FN4O — CID 59176322

IUPAC8-[(1S,2R)-2-fluorocyclopentyl]oxy-2-(7-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)quinoline
SMILESF[C@@H]1CCC[C@@H]1Oc1cccc2ccc(-c3cnc4cc(-c5cccnc5)ccn34)nc12
InChIInChI=1S/C26H21FN4O/c27-20-6-2-7-23(20)32-24-8-1-4-17-9-10-21(30-26(17)24)22-16-29-25-14-18(11-13-31(22)25)19-5-3-12-28-15-19/h1,3-5,8-16,20,23H,2,6-7H2/t20-,23+/m1/s1
InChIKeyMROQRHFUJNZREK-OFNKIYASSA-N
MW424.48 g/mol
LogP5.88
Rot. Bonds4

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

8-[(1S,2R)-2-fluorocyclopentyl]oxy-2-(7-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)quinoline (PubChem CID 59176322) has the molecular formula C26H21FN4O and a molecular weight of 424.48 g/mol. Its IUPAC name is 8-[(1S,2R)-2-fluorocyclopentyl]oxy-2-(7-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)quinoline.

Molecular Properties

Compound Name8-[(1S,2R)-2-fluorocyclopentyl]oxy-2-(7-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)quinoline
PubChem CID59176322
Molecular FormulaC26H21FN4O
Molecular Weight424.48 g/mol
Exact Mass424.17
IUPAC Name8-[(1S,2R)-2-fluorocyclopentyl]oxy-2-(7-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)quinoline
SMILESF[C@@H]1CCC[C@@H]1Oc1cccc2ccc(-c3cnc4cc(-c5cccnc5)ccn34)nc12
InChIInChI=1S/C26H21FN4O/c27-20-6-2-7-23(20)32-24-8-1-4-17-9-10-21(30-26(17)24)22-16-29-25-14-18(11-13-31(22)25)19-5-3-12-28-15-19/h1,3-5,8-16,20,23H,2,6-7H2/t20-,23+/m1/s1
InChIKeyMROQRHFUJNZREK-OFNKIYASSA-N
XLogP5.88
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.48
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(4-{3-phenyl-3H-imidazo[4,5-b]pyridin-6-yl}phenoxy)ethyl]piperidine
CID 5329413
4-[2-methyl-3-[(2~{R})-2-pyridin-2-yloxypropyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
CID 135336092
8-((4-Fluoropiperidin-4-yl)methoxy)-2-(7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl)quinoline
CID 25094493
2-(7-(2-Methoxyethoxy)imidazo[1,2-a]pyridin-3-yl)-8-(pyrrolidin-3-ylmethoxy)quinoline
CID 25098432
6-(2-(4-(2-methylquinolin-5-yl)piperazin-1-yl)ethyl)-4H-benzo[b]imidazo[1,2-d][1,4]oxazine
CID 46900150
2-methyl-6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-imidazo[2,1-c][1,4]benzoxazine
CID 46900451
6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-2-(trifluoromethyl)-4H-imidazo[2,1-c][1,4]benzoxazine
CID 46900455
6-(2-(4-(2-methylquinolin-5-yl)piperazin-1-yl)ethyl)-4H-benzo[b]imidazo[1,5-d][1,4]oxazine
CID 46900457
6-Methyl-5-(2-methyl-4-pyrrolo[1,2-a]pyrazin-1-yloxyphenyl)imidazo[1,2-a]pyrazine
CID 92044504
2-[4-(2-Methoxyphenyl)piperazin-1-ylmethyl]-6-methyl-8-phenylimidazo[1,2-a]pyridine
CID 11697270
6-[(1S)-1-[8-fluoro-6-(1-methylimidazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-methoxyquinoline
CID 118732961
1,8-Bis(2-fluoro-3-pyridinyl)-6-methoxy-3,4-dimethylimidazo[1,5-a]quinoxaline
CID 127038170

Frequently Asked Questions

What is the IUPAC name of 8-[(1S,2R)-2-fluorocyclopentyl]oxy-2-(7-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)quinoline?
The IUPAC name of 8-[(1S,2R)-2-fluorocyclopentyl]oxy-2-(7-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)quinoline (CID 59176322) is 8-[(1S,2R)-2-fluorocyclopentyl]oxy-2-(7-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)quinoline.
What is the SMILES notation for 8-[(1S,2R)-2-fluorocyclopentyl]oxy-2-(7-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)quinoline?
The canonical SMILES for 8-[(1S,2R)-2-fluorocyclopentyl]oxy-2-(7-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)quinoline is F[C@@H]1CCC[C@@H]1Oc1cccc2ccc(-c3cnc4cc(-c5cccnc5)ccn34)nc12.
What is the InChIKey of 8-[(1S,2R)-2-fluorocyclopentyl]oxy-2-(7-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)quinoline?
The InChIKey is MROQRHFUJNZREK-OFNKIYASSA-N. The full InChI is InChI=1S/C26H21FN4O/c27-20-6-2-7-23(20)32-24-8-1-4-17-9-10-21(30-26(17)24)22-16-29-25-14-18(11-13-31(22)25)19-5-3-12-28-15-19/h1,3-5,8-16,20,23H,2,6-7H2/t20-,23+/m1/s1.
What are the key properties of 8-[(1S,2R)-2-fluorocyclopentyl]oxy-2-(7-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)quinoline?
8-[(1S,2R)-2-fluorocyclopentyl]oxy-2-(7-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)quinoline has a molecular weight of 424.48 g/mol, XLogP of 5.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(1S,2R)-2-fluorocyclopentyl]oxy-2-(7-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)quinoline is sourced from PubChem (CID 59176322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).