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

C25H27FN4O2 — CID 71055004

IUPAC8-[[(3R,4S)-3-fluoropiperidin-4-yl]methyl]-2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinoline
SMILESCOCCOc1ccn2c(-c3ccc4cccc(C[C@H]5CCNC[C@@H]5F)c4n3)cnc2c1
InChIInChI=1S/C25H27FN4O2/c1-31-11-12-32-20-8-10-30-23(16-28-24(30)14-20)22-6-5-17-3-2-4-19(25(17)29-22)13-18-7-9-27-15-21(18)26/h2-6,8,10,14,16,18,21,27H,7,9,11-13,15H2,1H3/t18-,21+/m1/s1
InChIKeyMAPWVHJFEZLMSN-NQIIRXRSSA-N
MW434.52 g/mol
LogP4.06
Rot. Bonds7

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

8-[[(3R,4S)-3-fluoropiperidin-4-yl]methyl]-2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinoline (PubChem CID 71055004) has the molecular formula C25H27FN4O2 and a molecular weight of 434.52 g/mol. Its IUPAC name is 8-[[(3R,4S)-3-fluoropiperidin-4-yl]methyl]-2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinoline.

Molecular Properties

Compound Name8-[[(3R,4S)-3-fluoropiperidin-4-yl]methyl]-2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinoline
PubChem CID71055004
Molecular FormulaC25H27FN4O2
Molecular Weight434.52 g/mol
Exact Mass434.21
IUPAC Name8-[[(3R,4S)-3-fluoropiperidin-4-yl]methyl]-2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinoline
SMILESCOCCOc1ccn2c(-c3ccc4cccc(C[C@H]5CCNC[C@@H]5F)c4n3)cnc2c1
InChIInChI=1S/C25H27FN4O2/c1-31-11-12-32-20-8-10-30-23(16-28-24(30)14-20)22-6-5-17-3-2-4-19(25(17)29-22)13-18-7-9-27-15-21(18)26/h2-6,8,10,14,16,18,21,27H,7,9,11-13,15H2,1H3/t18-,21+/m1/s1
InChIKeyMAPWVHJFEZLMSN-NQIIRXRSSA-N
XLogP4.06
TPSA60.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[[(3R,4S)-3-fluoropiperidin-4-yl]methyl]-2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinoline?
The IUPAC name of 8-[[(3R,4S)-3-fluoropiperidin-4-yl]methyl]-2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinoline (CID 71055004) is 8-[[(3R,4S)-3-fluoropiperidin-4-yl]methyl]-2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinoline.
What is the SMILES notation for 8-[[(3R,4S)-3-fluoropiperidin-4-yl]methyl]-2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinoline?
The canonical SMILES for 8-[[(3R,4S)-3-fluoropiperidin-4-yl]methyl]-2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinoline is COCCOc1ccn2c(-c3ccc4cccc(C[C@H]5CCNC[C@@H]5F)c4n3)cnc2c1.
What is the InChIKey of 8-[[(3R,4S)-3-fluoropiperidin-4-yl]methyl]-2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinoline?
The InChIKey is MAPWVHJFEZLMSN-NQIIRXRSSA-N. The full InChI is InChI=1S/C25H27FN4O2/c1-31-11-12-32-20-8-10-30-23(16-28-24(30)14-20)22-6-5-17-3-2-4-19(25(17)29-22)13-18-7-9-27-15-21(18)26/h2-6,8,10,14,16,18,21,27H,7,9,11-13,15H2,1H3/t18-,21+/m1/s1.
What are the key properties of 8-[[(3R,4S)-3-fluoropiperidin-4-yl]methyl]-2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinoline?
8-[[(3R,4S)-3-fluoropiperidin-4-yl]methyl]-2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinoline has a molecular weight of 434.52 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[(3R,4S)-3-fluoropiperidin-4-yl]methyl]-2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinoline is sourced from PubChem (CID 71055004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).