2-(7-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-8-[(3R)-3-fluoropiperidin-4-yl]oxyquinoline

C20H17ClFN5O — CID 58303699

IUPAC2-(7-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-8-[(3R)-3-fluoropiperidin-4-yl]oxyquinoline
SMILESF[C@@H]1CNCCC1Oc1cccc2ccc(-c3nnc4cc(Cl)ccn34)nc12
InChIInChI=1S/C20H17ClFN5O/c21-13-7-9-27-18(10-13)25-26-20(27)15-5-4-12-2-1-3-17(19(12)24-15)28-16-6-8-23-11-14(16)22/h1-5,7,9-10,14,16,23H,6,8,11H2/t14-,16?/m1/s1
InChIKeyPHJNQZCUTKCIGD-IURRXHLWSA-N
MW397.84 g/mol
LogP3.68
Rot. Bonds3

About 2-(7-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-8-[(3R)-3-fluoropiperidin-4-yl]oxyquinoline

2-(7-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-8-[(3R)-3-fluoropiperidin-4-yl]oxyquinoline (PubChem CID 58303699) has the molecular formula C20H17ClFN5O and a molecular weight of 397.84 g/mol. Its IUPAC name is 2-(7-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-8-[(3R)-3-fluoropiperidin-4-yl]oxyquinoline.

Molecular Properties

Compound Name2-(7-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-8-[(3R)-3-fluoropiperidin-4-yl]oxyquinoline
PubChem CID58303699
Molecular FormulaC20H17ClFN5O
Molecular Weight397.84 g/mol
Exact Mass397.11
IUPAC Name2-(7-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-8-[(3R)-3-fluoropiperidin-4-yl]oxyquinoline
SMILESF[C@@H]1CNCCC1Oc1cccc2ccc(-c3nnc4cc(Cl)ccn34)nc12
InChIInChI=1S/C20H17ClFN5O/c21-13-7-9-27-18(10-13)25-26-20(27)15-5-4-12-2-1-3-17(19(12)24-15)28-16-6-8-23-11-14(16)22/h1-5,7,9-10,14,16,23H,6,8,11H2/t14-,16?/m1/s1
InChIKeyPHJNQZCUTKCIGD-IURRXHLWSA-N
XLogP3.68
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.84
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-8-[(3R)-3-fluoropiperidin-4-yl]oxyquinoline?
The IUPAC name of 2-(7-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-8-[(3R)-3-fluoropiperidin-4-yl]oxyquinoline (CID 58303699) is 2-(7-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-8-[(3R)-3-fluoropiperidin-4-yl]oxyquinoline.
What is the SMILES notation for 2-(7-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-8-[(3R)-3-fluoropiperidin-4-yl]oxyquinoline?
The canonical SMILES for 2-(7-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-8-[(3R)-3-fluoropiperidin-4-yl]oxyquinoline is F[C@@H]1CNCCC1Oc1cccc2ccc(-c3nnc4cc(Cl)ccn34)nc12.
What is the InChIKey of 2-(7-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-8-[(3R)-3-fluoropiperidin-4-yl]oxyquinoline?
The InChIKey is PHJNQZCUTKCIGD-IURRXHLWSA-N. The full InChI is InChI=1S/C20H17ClFN5O/c21-13-7-9-27-18(10-13)25-26-20(27)15-5-4-12-2-1-3-17(19(12)24-15)28-16-6-8-23-11-14(16)22/h1-5,7,9-10,14,16,23H,6,8,11H2/t14-,16?/m1/s1.
What are the key properties of 2-(7-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-8-[(3R)-3-fluoropiperidin-4-yl]oxyquinoline?
2-(7-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-8-[(3R)-3-fluoropiperidin-4-yl]oxyquinoline has a molecular weight of 397.84 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-8-[(3R)-3-fluoropiperidin-4-yl]oxyquinoline is sourced from PubChem (CID 58303699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).