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

C25H27FN4O3 — CID 59176318

IUPAC8-[(3S)-3-fluoro-1-methylpiperidin-4-yl]oxy-2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinoline
SMILESCOCCOc1ccn2c(-c3ccc4cccc(OC5CCN(C)C[C@@H]5F)c4n3)cnc2c1
InChIInChI=1S/C25H27FN4O3/c1-29-10-9-22(19(26)16-29)33-23-5-3-4-17-6-7-20(28-25(17)23)21-15-27-24-14-18(8-11-30(21)24)32-13-12-31-2/h3-8,11,14-15,19,22H,9-10,12-13,16H2,1-2H3/t19-,22?/m0/s1
InChIKeyFESXABGGTQSRQZ-YDNXMHBPSA-N
MW450.51 g/mol
LogP4.00
Rot. Bonds7

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

8-[(3S)-3-fluoro-1-methylpiperidin-4-yl]oxy-2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinoline (PubChem CID 59176318) has the molecular formula C25H27FN4O3 and a molecular weight of 450.51 g/mol. Its IUPAC name is 8-[(3S)-3-fluoro-1-methylpiperidin-4-yl]oxy-2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinoline.

Molecular Properties

Compound Name8-[(3S)-3-fluoro-1-methylpiperidin-4-yl]oxy-2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinoline
PubChem CID59176318
Molecular FormulaC25H27FN4O3
Molecular Weight450.51 g/mol
Exact Mass450.21
IUPAC Name8-[(3S)-3-fluoro-1-methylpiperidin-4-yl]oxy-2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinoline
SMILESCOCCOc1ccn2c(-c3ccc4cccc(OC5CCN(C)C[C@@H]5F)c4n3)cnc2c1
InChIInChI=1S/C25H27FN4O3/c1-29-10-9-22(19(26)16-29)33-23-5-3-4-17-6-7-20(28-25(17)23)21-15-27-24-14-18(8-11-30(21)24)32-13-12-31-2/h3-8,11,14-15,19,22H,9-10,12-13,16H2,1-2H3/t19-,22?/m0/s1
InChIKeyFESXABGGTQSRQZ-YDNXMHBPSA-N
XLogP4.00
TPSA61.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.51
LogP ≤ 54.00
H-Bond Donors ≤ 50
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)-3-fluoro-1-methylpiperidin-4-yl]oxy-2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinoline?
The IUPAC name of 8-[(3S)-3-fluoro-1-methylpiperidin-4-yl]oxy-2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinoline (CID 59176318) is 8-[(3S)-3-fluoro-1-methylpiperidin-4-yl]oxy-2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinoline.
What is the SMILES notation for 8-[(3S)-3-fluoro-1-methylpiperidin-4-yl]oxy-2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinoline?
The canonical SMILES for 8-[(3S)-3-fluoro-1-methylpiperidin-4-yl]oxy-2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinoline is COCCOc1ccn2c(-c3ccc4cccc(OC5CCN(C)C[C@@H]5F)c4n3)cnc2c1.
What is the InChIKey of 8-[(3S)-3-fluoro-1-methylpiperidin-4-yl]oxy-2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinoline?
The InChIKey is FESXABGGTQSRQZ-YDNXMHBPSA-N. The full InChI is InChI=1S/C25H27FN4O3/c1-29-10-9-22(19(26)16-29)33-23-5-3-4-17-6-7-20(28-25(17)23)21-15-27-24-14-18(8-11-30(21)24)32-13-12-31-2/h3-8,11,14-15,19,22H,9-10,12-13,16H2,1-2H3/t19-,22?/m0/s1.
What are the key properties of 8-[(3S)-3-fluoro-1-methylpiperidin-4-yl]oxy-2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinoline?
8-[(3S)-3-fluoro-1-methylpiperidin-4-yl]oxy-2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinoline has a molecular weight of 450.51 g/mol, XLogP of 4.00, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3S)-3-fluoro-1-methylpiperidin-4-yl]oxy-2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinoline is sourced from PubChem (CID 59176318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).