(3S)-1-(2-fluorophenyl)-3-[methyl(pyrido[2,3-b]pyrazin-6-yl)amino]pyrrolidin-2-one

C18H16FN5O — CID 97212785

IUPAC(3S)-1-(2-fluorophenyl)-3-[methyl(pyrido[2,3-b]pyrazin-6-yl)amino]pyrrolidin-2-one
SMILESCN(c1ccc2nccnc2n1)[C@H]1CCN(c2ccccc2F)C1=O
InChIInChI=1S/C18H16FN5O/c1-23(16-7-6-13-17(22-16)21-10-9-20-13)15-8-11-24(18(15)25)14-5-3-2-4-12(14)19/h2-7,9-10,15H,8,11H2,1H3/t15-/m0/s1
InChIKeyGVNORDJRIYJLOB-HNNXBMFYSA-N
MW337.36 g/mol
LogP2.41
Rot. Bonds3

About (3S)-1-(2-fluorophenyl)-3-[methyl(pyrido[2,3-b]pyrazin-6-yl)amino]pyrrolidin-2-one

(3S)-1-(2-fluorophenyl)-3-[methyl(pyrido[2,3-b]pyrazin-6-yl)amino]pyrrolidin-2-one (PubChem CID 97212785) has the molecular formula C18H16FN5O and a molecular weight of 337.36 g/mol. Its IUPAC name is (3S)-1-(2-fluorophenyl)-3-[methyl(pyrido[2,3-b]pyrazin-6-yl)amino]pyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-1-(2-fluorophenyl)-3-[methyl(pyrido[2,3-b]pyrazin-6-yl)amino]pyrrolidin-2-one
PubChem CID97212785
Molecular FormulaC18H16FN5O
Molecular Weight337.36 g/mol
Exact Mass337.13
IUPAC Name(3S)-1-(2-fluorophenyl)-3-[methyl(pyrido[2,3-b]pyrazin-6-yl)amino]pyrrolidin-2-one
SMILESCN(c1ccc2nccnc2n1)[C@H]1CCN(c2ccccc2F)C1=O
InChIInChI=1S/C18H16FN5O/c1-23(16-7-6-13-17(22-16)21-10-9-20-13)15-8-11-24(18(15)25)14-5-3-2-4-12(14)19/h2-7,9-10,15H,8,11H2,1H3/t15-/m0/s1
InChIKeyGVNORDJRIYJLOB-HNNXBMFYSA-N
XLogP2.41
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.36
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-3-[methyl(pyrido[2,3-b]pyrazin-6-yl)amino]-1-phenylpyrrolidin-2-one
CID 97218042
6-[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]pyridine-3-carbonitrile
CID 56788924
(3S)-1-(2-fluorophenyl)-3-[methyl-(5-nitro-2-pyridinyl)amino]pyrrolidin-2-one
CID 95624732
(3R)-1-(2-fluorophenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]pyrrolidin-2-one
CID 95623647
3-[[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]propanoic acid
CID 129414901
(3R)-1-(2-fluorophenyl)-3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]pyrrolidin-2-one
CID 95623597
3-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]-1-(2-fluorophenyl)pyrrolidin-2-one
CID 56788663
(3S)-3-[[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-methylamino]-1-(2-fluorophenyl)pyrrolidin-2-one
CID 124813690
(3R)-3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-1-(2-fluorophenyl)pyrrolidin-2-one
CID 95623639
3-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-1-(2-fluorophenyl)pyrrolidin-2-one
CID 120751933
(2R,3S)-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N,2-dimethylmorpholine-3-carboxamide
CID 120932657
(3R)-3-[(4-chloro-1-methylpyrazol-5-yl)methyl-methylamino]-1-(2-fluorophenyl)pyrrolidin-2-one
CID 124619263

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-fluorophenyl)-3-[methyl(pyrido[2,3-b]pyrazin-6-yl)amino]pyrrolidin-2-one?
The IUPAC name of (3S)-1-(2-fluorophenyl)-3-[methyl(pyrido[2,3-b]pyrazin-6-yl)amino]pyrrolidin-2-one (CID 97212785) is (3S)-1-(2-fluorophenyl)-3-[methyl(pyrido[2,3-b]pyrazin-6-yl)amino]pyrrolidin-2-one.
What is the SMILES notation for (3S)-1-(2-fluorophenyl)-3-[methyl(pyrido[2,3-b]pyrazin-6-yl)amino]pyrrolidin-2-one?
The canonical SMILES for (3S)-1-(2-fluorophenyl)-3-[methyl(pyrido[2,3-b]pyrazin-6-yl)amino]pyrrolidin-2-one is CN(c1ccc2nccnc2n1)[C@H]1CCN(c2ccccc2F)C1=O.
What is the InChIKey of (3S)-1-(2-fluorophenyl)-3-[methyl(pyrido[2,3-b]pyrazin-6-yl)amino]pyrrolidin-2-one?
The InChIKey is GVNORDJRIYJLOB-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H16FN5O/c1-23(16-7-6-13-17(22-16)21-10-9-20-13)15-8-11-24(18(15)25)14-5-3-2-4-12(14)19/h2-7,9-10,15H,8,11H2,1H3/t15-/m0/s1.
What are the key properties of (3S)-1-(2-fluorophenyl)-3-[methyl(pyrido[2,3-b]pyrazin-6-yl)amino]pyrrolidin-2-one?
(3S)-1-(2-fluorophenyl)-3-[methyl(pyrido[2,3-b]pyrazin-6-yl)amino]pyrrolidin-2-one has a molecular weight of 337.36 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-fluorophenyl)-3-[methyl(pyrido[2,3-b]pyrazin-6-yl)amino]pyrrolidin-2-one is sourced from PubChem (CID 97212785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).