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

C23H24Cl2FN5O — CID 67233960

IUPAC2-(6-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-8-[(3S,4R)-3-fluoropiperidin-4-yl]oxyquinoline;dihydrochloride
SMILESCl.Cl.F[C@H]1CNCC[C@H]1Oc1cccc2ccc(-c3nnc4ccc(C5CC5)cn34)nc12
InChIInChI=1S/C23H22FN5O.2ClH/c24-17-12-25-11-10-19(17)30-20-3-1-2-15-6-8-18(26-22(15)20)23-28-27-21-9-7-16(13-29(21)23)14-4-5-14;;/h1-3,6-9,13-14,17,19,25H,4-5,10-12H2;2*1H/t17-,19+;;/m0../s1
InChIKeyRYSCNJPNTFKZHQ-UKWJXJBFSA-N
MW476.38 g/mol
LogP4.74
Rot. Bonds4

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

2-(6-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-8-[(3S,4R)-3-fluoropiperidin-4-yl]oxyquinoline;dihydrochloride (PubChem CID 67233960) has the molecular formula C23H24Cl2FN5O and a molecular weight of 476.38 g/mol. Its IUPAC name is 2-(6-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-8-[(3S,4R)-3-fluoropiperidin-4-yl]oxyquinoline;dihydrochloride.

Molecular Properties

Compound Name2-(6-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-8-[(3S,4R)-3-fluoropiperidin-4-yl]oxyquinoline;dihydrochloride
PubChem CID67233960
Molecular FormulaC23H24Cl2FN5O
Molecular Weight476.38 g/mol
Exact Mass475.13
IUPAC Name2-(6-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-8-[(3S,4R)-3-fluoropiperidin-4-yl]oxyquinoline;dihydrochloride
SMILESCl.Cl.F[C@H]1CNCC[C@H]1Oc1cccc2ccc(-c3nnc4ccc(C5CC5)cn34)nc12
InChIInChI=1S/C23H22FN5O.2ClH/c24-17-12-25-11-10-19(17)30-20-3-1-2-15-6-8-18(26-22(15)20)23-28-27-21-9-7-16(13-29(21)23)14-4-5-14;;/h1-3,6-9,13-14,17,19,25H,4-5,10-12H2;2*1H/t17-,19+;;/m0../s1
InChIKeyRYSCNJPNTFKZHQ-UKWJXJBFSA-N
XLogP4.74
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.38
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(6-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-8-[(3S,4R)-3-fluoropiperidin-4-yl]oxyquinoline;dihydrochloride with MolForge

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Related Compounds

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
8-[(4S,5S)-5-fluoroazepan-4-yl]oxy-2-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline;dihydrochloride
CID 67233725
8-[(4S,5S)-5-fluoroazepan-4-yl]oxy-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline
CID 67230102
tert-butyl (4S,5S)-4-[2-(6-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxy-5-fluoroazepane-1-carboxylate
CID 67229604
8-[(3R,4R)-3-fluoropiperidin-4-yl]oxy-2-[7-(oxan-4-yloxy)imidazo[1,2-a]pyridin-3-yl]quinoline;dihydrochloride
CID 66782217
2-[3-[8-[(3S,4S)-3-fluoropiperidin-4-yl]oxyquinolin-2-yl]imidazo[1,2-a]pyridin-7-yl]oxyethanol
CID 59176335
8-[(3S)-3-fluoropiperidin-4-yl]oxy-2-[7-[(3S)-oxolan-3-yl]oxyimidazo[1,2-a]pyridin-3-yl]quinoline
CID 59176310
8-[(3S)-3-fluoropiperidin-4-yl]oxy-2-[7-[(3R)-oxolan-3-yl]oxyimidazo[1,2-a]pyridin-3-yl]quinoline
CID 59176345
ethane;2-[1-[(2Z)-2-ethylidene-1-pyridinyl]ethenyl]-8-(3-fluoropiperidin-4-yl)oxyquinoline
CID 143945283
4-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxypiperidine-1-carboxylic acid
CID 67234704
(3S)-1-[(1R)-2,2,2-trifluoro-1-[3-[8-(trifluoromethoxy)quinolin-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]ethyl]pyrrolidin-3-amine
CID 89182271
4-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxypiperidine-2-carboxylic acid
CID 67231057

Frequently Asked Questions

What is the IUPAC name of 2-(6-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-8-[(3S,4R)-3-fluoropiperidin-4-yl]oxyquinoline;dihydrochloride?
The IUPAC name of 2-(6-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-8-[(3S,4R)-3-fluoropiperidin-4-yl]oxyquinoline;dihydrochloride (CID 67233960) is 2-(6-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-8-[(3S,4R)-3-fluoropiperidin-4-yl]oxyquinoline;dihydrochloride.
What is the SMILES notation for 2-(6-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-8-[(3S,4R)-3-fluoropiperidin-4-yl]oxyquinoline;dihydrochloride?
The canonical SMILES for 2-(6-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-8-[(3S,4R)-3-fluoropiperidin-4-yl]oxyquinoline;dihydrochloride is Cl.Cl.F[C@H]1CNCC[C@H]1Oc1cccc2ccc(-c3nnc4ccc(C5CC5)cn34)nc12.
What is the InChIKey of 2-(6-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-8-[(3S,4R)-3-fluoropiperidin-4-yl]oxyquinoline;dihydrochloride?
The InChIKey is RYSCNJPNTFKZHQ-UKWJXJBFSA-N. The full InChI is InChI=1S/C23H22FN5O.2ClH/c24-17-12-25-11-10-19(17)30-20-3-1-2-15-6-8-18(26-22(15)20)23-28-27-21-9-7-16(13-29(21)23)14-4-5-14;;/h1-3,6-9,13-14,17,19,25H,4-5,10-12H2;2*1H/t17-,19+;;/m0../s1.
What are the key properties of 2-(6-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-8-[(3S,4R)-3-fluoropiperidin-4-yl]oxyquinoline;dihydrochloride?
2-(6-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-8-[(3S,4R)-3-fluoropiperidin-4-yl]oxyquinoline;dihydrochloride has a molecular weight of 476.38 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-8-[(3S,4R)-3-fluoropiperidin-4-yl]oxyquinoline;dihydrochloride is sourced from PubChem (CID 67233960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).