[5-(4-fluorophenyl)pyrazolidin-3-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone

C21H23FN6O — CID 134067512

IUPAC[5-(4-fluorophenyl)pyrazolidin-3-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
SMILESO=C(C1CC(c2ccc(F)cc2)NN1)N1CCC(c2nnc3ccccn23)CC1
InChIInChI=1S/C21H23FN6O/c22-16-6-4-14(5-7-16)17-13-18(24-23-17)21(29)27-11-8-15(9-12-27)20-26-25-19-3-1-2-10-28(19)20/h1-7,10,15,17-18,23-24H,8-9,11-13H2
InChIKeyHCQJGSVBBYUZKF-UHFFFAOYSA-N
MW394.45 g/mol
LogP2.18
Rot. Bonds3

About [5-(4-fluorophenyl)pyrazolidin-3-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone

[5-(4-fluorophenyl)pyrazolidin-3-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone (PubChem CID 134067512) has the molecular formula C21H23FN6O and a molecular weight of 394.45 g/mol. Its IUPAC name is [5-(4-fluorophenyl)pyrazolidin-3-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(4-fluorophenyl)pyrazolidin-3-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
PubChem CID134067512
Molecular FormulaC21H23FN6O
Molecular Weight394.45 g/mol
Exact Mass394.19
IUPAC Name[5-(4-fluorophenyl)pyrazolidin-3-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
SMILESO=C(C1CC(c2ccc(F)cc2)NN1)N1CCC(c2nnc3ccccn23)CC1
InChIInChI=1S/C21H23FN6O/c22-16-6-4-14(5-7-16)17-13-18(24-23-17)21(29)27-11-8-15(9-12-27)20-26-25-19-3-1-2-10-28(19)20/h1-7,10,15,17-18,23-24H,8-9,11-13H2
InChIKeyHCQJGSVBBYUZKF-UHFFFAOYSA-N
XLogP2.18
TPSA74.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(4-aminopiperidin-1-yl)-[5-(4-fluorophenyl)pyrazolidin-3-yl]methanone
CID 77115341
[(2R)-oxolan-2-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 35896294
[5-fluoro-2-(tetrazol-1-yl)phenyl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 71705753
N-benzyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide
CID 24664708
pyridin-3-yl-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 43018368
2-(4-fluorophenyl)-N-[1-[5-(4-fluorophenyl)pyrazolidine-3-carbonyl]piperidin-4-yl]acetamide
CID 75270626
(1-phenylcyclopropyl)-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 33447221
azetidin-1-yl-(5-phenylpyrazolidin-3-yl)methanone
CID 52973016
pyrazin-2-yl-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 35897297
2-(1-hydroxycyclohexyl)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone
CID 111331645
[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 97269783
(4R,5S)-1-methyl-5-phenyl-4-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 97265977

Frequently Asked Questions

What is the IUPAC name of [5-(4-fluorophenyl)pyrazolidin-3-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone?
The IUPAC name of [5-(4-fluorophenyl)pyrazolidin-3-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone (CID 134067512) is [5-(4-fluorophenyl)pyrazolidin-3-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [5-(4-fluorophenyl)pyrazolidin-3-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for [5-(4-fluorophenyl)pyrazolidin-3-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone is O=C(C1CC(c2ccc(F)cc2)NN1)N1CCC(c2nnc3ccccn23)CC1.
What is the InChIKey of [5-(4-fluorophenyl)pyrazolidin-3-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone?
The InChIKey is HCQJGSVBBYUZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN6O/c22-16-6-4-14(5-7-16)17-13-18(24-23-17)21(29)27-11-8-15(9-12-27)20-26-25-19-3-1-2-10-28(19)20/h1-7,10,15,17-18,23-24H,8-9,11-13H2.
What are the key properties of [5-(4-fluorophenyl)pyrazolidin-3-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone?
[5-(4-fluorophenyl)pyrazolidin-3-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone has a molecular weight of 394.45 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluorophenyl)pyrazolidin-3-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 134067512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).