[1-(4-fluorophenyl)cyclopentyl]-[(2R)-2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone

C23H24FN5O — CID 51492718

IUPAC[1-(4-fluorophenyl)cyclopentyl]-[(2R)-2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone
SMILESO=C(N1CCC[C@@H]1c1nc(-c2ccncc2)n[nH]1)C1(c2ccc(F)cc2)CCCC1
InChIInChI=1S/C23H24FN5O/c24-18-7-5-17(6-8-18)23(11-1-2-12-23)22(30)29-15-3-4-19(29)21-26-20(27-28-21)16-9-13-25-14-10-16/h5-10,13-14,19H,1-4,11-12,15H2,(H,26,27,28)/t19-/m1/s1
InChIKeyKVQCBPGLXSJWCV-LJQANCHMSA-N
MW405.48 g/mol
LogP4.18
Rot. Bonds4

About [1-(4-fluorophenyl)cyclopentyl]-[(2R)-2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone

[1-(4-fluorophenyl)cyclopentyl]-[(2R)-2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone (PubChem CID 51492718) has the molecular formula C23H24FN5O and a molecular weight of 405.48 g/mol. Its IUPAC name is [1-(4-fluorophenyl)cyclopentyl]-[(2R)-2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(4-fluorophenyl)cyclopentyl]-[(2R)-2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone
PubChem CID51492718
Molecular FormulaC23H24FN5O
Molecular Weight405.48 g/mol
Exact Mass405.20
IUPAC Name[1-(4-fluorophenyl)cyclopentyl]-[(2R)-2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone
SMILESO=C(N1CCC[C@@H]1c1nc(-c2ccncc2)n[nH]1)C1(c2ccc(F)cc2)CCCC1
InChIInChI=1S/C23H24FN5O/c24-18-7-5-17(6-8-18)23(11-1-2-12-23)22(30)29-15-3-4-19(29)21-26-20(27-28-21)16-9-13-25-14-10-16/h5-10,13-14,19H,1-4,11-12,15H2,(H,26,27,28)/t19-/m1/s1
InChIKeyKVQCBPGLXSJWCV-LJQANCHMSA-N
XLogP4.18
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-phenylcyclopropyl)-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone
CID 87052044
cyclobutyl-[2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 91913578
N-cyclopentyl-2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
CID 91903863
[1-(4-fluorophenyl)cyclopropyl]-[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 72935420
2-cyclopentyl-1-[(3S)-3-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone
CID 95111158
(2S)-2-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]-N-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 91904920
(1,5-dimethylpyrazol-3-yl)-[2-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]pyrrolidin-1-yl]methanone
CID 171141722
(2R)-1-[1-(4-fluorophenyl)cyclopropanecarbonyl]pyrrolidine-2-carboxylic acid
CID 78922091
1-[(2R)-2-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]-2-phenoxyethanone
CID 68689661
4-[5-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1H-1,2,4-triazol-3-yl]pyridine
CID 16669618
[1-(2-fluorophenyl)cyclopentyl]-[(2R)-2-(2-phenylpyrimidin-4-yl)pyrrolidin-1-yl]methanone
CID 129453255
[1-(4-fluorophenyl)cyclopropyl]-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 129427533

Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)cyclopentyl]-[(2R)-2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of [1-(4-fluorophenyl)cyclopentyl]-[(2R)-2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone (CID 51492718) is [1-(4-fluorophenyl)cyclopentyl]-[(2R)-2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [1-(4-fluorophenyl)cyclopentyl]-[(2R)-2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [1-(4-fluorophenyl)cyclopentyl]-[(2R)-2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone is O=C(N1CCC[C@@H]1c1nc(-c2ccncc2)n[nH]1)C1(c2ccc(F)cc2)CCCC1.
What is the InChIKey of [1-(4-fluorophenyl)cyclopentyl]-[(2R)-2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone?
The InChIKey is KVQCBPGLXSJWCV-LJQANCHMSA-N. The full InChI is InChI=1S/C23H24FN5O/c24-18-7-5-17(6-8-18)23(11-1-2-12-23)22(30)29-15-3-4-19(29)21-26-20(27-28-21)16-9-13-25-14-10-16/h5-10,13-14,19H,1-4,11-12,15H2,(H,26,27,28)/t19-/m1/s1.
What are the key properties of [1-(4-fluorophenyl)cyclopentyl]-[(2R)-2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone?
[1-(4-fluorophenyl)cyclopentyl]-[(2R)-2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone has a molecular weight of 405.48 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)cyclopentyl]-[(2R)-2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 51492718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).