(3S)-1-(4-fluoro-2-methylphenyl)-3-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)piperidin-2-one

C17H17FN6O — CID 97218828

IUPAC(3S)-1-(4-fluoro-2-methylphenyl)-3-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)piperidin-2-one
SMILESCc1cc(F)ccc1N1CCC[C@H](Nc2nccn3cnnc23)C1=O
InChIInChI=1S/C17H17FN6O/c1-11-9-12(18)4-5-14(11)24-7-2-3-13(17(24)25)21-15-16-22-20-10-23(16)8-6-19-15/h4-6,8-10,13H,2-3,7H2,1H3,(H,19,21)/t13-/m0/s1
InChIKeyBEZPMNUUSDUFHO-ZDUSSCGKSA-N
MW340.36 g/mol
LogP2.18
Rot. Bonds3

About (3S)-1-(4-fluoro-2-methylphenyl)-3-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)piperidin-2-one

(3S)-1-(4-fluoro-2-methylphenyl)-3-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)piperidin-2-one (PubChem CID 97218828) has the molecular formula C17H17FN6O and a molecular weight of 340.36 g/mol. Its IUPAC name is (3S)-1-(4-fluoro-2-methylphenyl)-3-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)piperidin-2-one.

Molecular Properties

Compound Name(3S)-1-(4-fluoro-2-methylphenyl)-3-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)piperidin-2-one
PubChem CID97218828
Molecular FormulaC17H17FN6O
Molecular Weight340.36 g/mol
Exact Mass340.14
IUPAC Name(3S)-1-(4-fluoro-2-methylphenyl)-3-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)piperidin-2-one
SMILESCc1cc(F)ccc1N1CCC[C@H](Nc2nccn3cnnc23)C1=O
InChIInChI=1S/C17H17FN6O/c1-11-9-12(18)4-5-14(11)24-7-2-3-13(17(24)25)21-15-16-22-20-10-23(16)8-6-19-15/h4-6,8-10,13H,2-3,7H2,1H3,(H,19,21)/t13-/m0/s1
InChIKeyBEZPMNUUSDUFHO-ZDUSSCGKSA-N
XLogP2.18
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-1-(3-chlorophenyl)-3-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)pyrrolidin-2-one
CID 97221908
1-(4-fluoro-2-methylphenyl)-3-(oxan-4-ylamino)piperidin-2-one
CID 118740667
(3S)-3-amino-1-(4-fluoro-2-methylphenyl)piperidin-2-one
CID 95240490
N-[1-(4-fluoro-2-methylphenyl)-2-oxopiperidin-3-yl]-3,4-dihydro-2H-1,7-naphthyridine-1-carboxamide
CID 167751619
N-[1-(2-methoxyphenyl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 75374730
N-[(3S)-1-(2-methoxyphenyl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 97218826
3-[(3S)-1-(4-fluoro-2-methylphenyl)-2-oxopiperidin-3-yl]-3-oxopropanenitrile
CID 125449544
2-[3-(ethylamino)-2-oxopiperidin-1-yl]-5-fluorobenzonitrile
CID 82685698
(3S)-1-(2-ethylpyrazol-3-yl)-3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]piperidin-2-one
CID 100653585
N-[(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 128976968
N-[(3R)-1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 95629403
3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-1-(2-methoxyphenyl)piperidin-2-one
CID 102557521

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-fluoro-2-methylphenyl)-3-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)piperidin-2-one?
The IUPAC name of (3S)-1-(4-fluoro-2-methylphenyl)-3-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)piperidin-2-one (CID 97218828) is (3S)-1-(4-fluoro-2-methylphenyl)-3-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)piperidin-2-one.
What is the SMILES notation for (3S)-1-(4-fluoro-2-methylphenyl)-3-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)piperidin-2-one?
The canonical SMILES for (3S)-1-(4-fluoro-2-methylphenyl)-3-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)piperidin-2-one is Cc1cc(F)ccc1N1CCC[C@H](Nc2nccn3cnnc23)C1=O.
What is the InChIKey of (3S)-1-(4-fluoro-2-methylphenyl)-3-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)piperidin-2-one?
The InChIKey is BEZPMNUUSDUFHO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H17FN6O/c1-11-9-12(18)4-5-14(11)24-7-2-3-13(17(24)25)21-15-16-22-20-10-23(16)8-6-19-15/h4-6,8-10,13H,2-3,7H2,1H3,(H,19,21)/t13-/m0/s1.
What are the key properties of (3S)-1-(4-fluoro-2-methylphenyl)-3-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)piperidin-2-one?
(3S)-1-(4-fluoro-2-methylphenyl)-3-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)piperidin-2-one has a molecular weight of 340.36 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-fluoro-2-methylphenyl)-3-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)piperidin-2-one is sourced from PubChem (CID 97218828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).