8-[(3S,4R)-3-fluoropiperidin-4-yl]oxy-2-(6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline;dihydrochloride

C26H24Cl2FN5O — CID 67233730

About 8-[(3S,4R)-3-fluoropiperidin-4-yl]oxy-2-(6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline;dihydrochloride

8-[(3S,4R)-3-fluoropiperidin-4-yl]oxy-2-(6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline;dihydrochloride (PubChem CID 67233730) has the molecular formula C26H24Cl2FN5O and a molecular weight of 512.42 g/mol. Its IUPAC name is 8-[(3S,4R)-3-fluoropiperidin-4-yl]oxy-2-(6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline;dihydrochloride.

Molecular Properties

• Compound Name: 8-[(3S,4R)-3-fluoropiperidin-4-yl]oxy-2-(6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline;dihydrochloride
• PubChem CID: 67233730
• Molecular Formula: C26H24Cl2FN5O
• Molecular Weight: 512.42 g/mol
• Exact Mass: 511.13
• IUPAC Name: 8-[(3S,4R)-3-fluoropiperidin-4-yl]oxy-2-(6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline;dihydrochloride
• SMILES: Cl.Cl.F[C@H]1CNCC[C@H]1Oc1cccc2ccc(-c3nnc4ccc(-c5ccccc5)cn34)nc12
• InChI: InChI=1S/C26H22FN5O.2ClH/c27-20-15-28-14-13-22(20)33-23-8-4-7-18-9-11-21(29-25(18)23)26-31-30-24-12-10-19(16-32(24)26)17-5-2-1-3-6-17;;/h1-12,16,20,22,28H,13-15H2;2*1H/t20-,22+;;/m0../s1
• InChIKey: GNZAURSZEXIVFW-ULXOMSGMSA-N
• XLogP: 5.53
• TPSA: 64.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	512.42
LogP ≤ 5	5.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 8-[(3S,4R)-3-fluoropiperidin-4-yl]oxy-2-(6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline;dihydrochloride?

The IUPAC name of 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) is 8-[(3S,4R)-3-fluoropiperidin-4-yl]oxy-2-(6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline;dihydrochloride.

What is the SMILES notation for 8-[(3S,4R)-3-fluoropiperidin-4-yl]oxy-2-(6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline;dihydrochloride?

The canonical SMILES for 8-[(3S,4R)-3-fluoropiperidin-4-yl]oxy-2-(6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline;dihydrochloride is Cl.Cl.F[C@H]1CNCC[C@H]1Oc1cccc2ccc(-c3nnc4ccc(-c5ccccc5)cn34)nc12.

What is the InChIKey of 8-[(3S,4R)-3-fluoropiperidin-4-yl]oxy-2-(6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline;dihydrochloride?

The InChIKey is GNZAURSZEXIVFW-ULXOMSGMSA-N. The full InChI is InChI=1S/C26H22FN5O.2ClH/c27-20-15-28-14-13-22(20)33-23-8-4-7-18-9-11-21(29-25(18)23)26-31-30-24-12-10-19(16-32(24)26)17-5-2-1-3-6-17;;/h1-12,16,20,22,28H,13-15H2;2*1H/t20-,22+;;/m0../s1.

What are the key properties of 8-[(3S,4R)-3-fluoropiperidin-4-yl]oxy-2-(6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline;dihydrochloride?

8-[(3S,4R)-3-fluoropiperidin-4-yl]oxy-2-(6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline;dihydrochloride has a molecular weight of 512.42 g/mol, XLogP of 5.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[(3S,4R)-3-fluoropiperidin-4-yl]oxy-2-(6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline;dihydrochloride is sourced from PubChem (CID 67233730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).