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

C24H25FN4O3 — CID 66781377

IUPAC8-[(3S,4R)-3-fluoropiperidin-4-yl]oxy-2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinoline
SMILESCOCCOc1ccn2c(-c3ccc4cccc(O[C@@H]5CCNC[C@@H]5F)c4n3)cnc2c1
InChIInChI=1S/C24H25FN4O3/c1-30-11-12-31-17-8-10-29-20(15-27-23(29)13-17)19-6-5-16-3-2-4-22(24(16)28-19)32-21-7-9-26-14-18(21)25/h2-6,8,10,13,15,18,21,26H,7,9,11-12,14H2,1H3/t18-,21+/m0/s1
InChIKeyPPPOUAQYRUUFNJ-GHTZIAJQSA-N
MW436.49 g/mol
LogP3.65
Rot. Bonds7

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

8-[(3S,4R)-3-fluoropiperidin-4-yl]oxy-2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinoline (PubChem CID 66781377) has the molecular formula C24H25FN4O3 and a molecular weight of 436.49 g/mol. Its IUPAC name is 8-[(3S,4R)-3-fluoropiperidin-4-yl]oxy-2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinoline.

Molecular Properties

Compound Name8-[(3S,4R)-3-fluoropiperidin-4-yl]oxy-2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinoline
PubChem CID66781377
Molecular FormulaC24H25FN4O3
Molecular Weight436.49 g/mol
Exact Mass436.19
IUPAC Name8-[(3S,4R)-3-fluoropiperidin-4-yl]oxy-2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinoline
SMILESCOCCOc1ccn2c(-c3ccc4cccc(O[C@@H]5CCNC[C@@H]5F)c4n3)cnc2c1
InChIInChI=1S/C24H25FN4O3/c1-30-11-12-31-17-8-10-29-20(15-27-23(29)13-17)19-6-5-16-3-2-4-22(24(16)28-19)32-21-7-9-26-14-18(21)25/h2-6,8,10,13,15,18,21,26H,7,9,11-12,14H2,1H3/t18-,21+/m0/s1
InChIKeyPPPOUAQYRUUFNJ-GHTZIAJQSA-N
XLogP3.65
TPSA69.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-[(3S,4R)-3-fluoropiperidin-4-yl]oxy-2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinoline?
The IUPAC name of 8-[(3S,4R)-3-fluoropiperidin-4-yl]oxy-2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinoline (CID 66781377) is 8-[(3S,4R)-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,4R)-3-fluoropiperidin-4-yl]oxy-2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinoline?
The canonical SMILES for 8-[(3S,4R)-3-fluoropiperidin-4-yl]oxy-2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinoline is COCCOc1ccn2c(-c3ccc4cccc(O[C@@H]5CCNC[C@@H]5F)c4n3)cnc2c1.
What is the InChIKey of 8-[(3S,4R)-3-fluoropiperidin-4-yl]oxy-2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinoline?
The InChIKey is PPPOUAQYRUUFNJ-GHTZIAJQSA-N. The full InChI is InChI=1S/C24H25FN4O3/c1-30-11-12-31-17-8-10-29-20(15-27-23(29)13-17)19-6-5-16-3-2-4-22(24(16)28-19)32-21-7-9-26-14-18(21)25/h2-6,8,10,13,15,18,21,26H,7,9,11-12,14H2,1H3/t18-,21+/m0/s1.
What are the key properties of 8-[(3S,4R)-3-fluoropiperidin-4-yl]oxy-2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinoline?
8-[(3S,4R)-3-fluoropiperidin-4-yl]oxy-2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinoline has a molecular weight of 436.49 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3S,4R)-3-fluoropiperidin-4-yl]oxy-2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinoline is sourced from PubChem (CID 66781377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).