(3R)-1-benzylspiro[4H-pyrido[2,3-b]pyrazine-3,3'-pyrrolidine]-2-one

C17H18N4O — CID 137378618

IUPAC(3R)-1-benzylspiro[4H-pyrido[2,3-b]pyrazine-3,3'-pyrrolidine]-2-one
SMILESO=C1N(Cc2ccccc2)c2cccnc2N[C@@]12CCNC2
InChIInChI=1S/C17H18N4O/c22-16-17(8-10-18-12-17)20-15-14(7-4-9-19-15)21(16)11-13-5-2-1-3-6-13/h1-7,9,18H,8,10-12H2,(H,19,20)/t17-/m1/s1
InChIKeyOLCZLABWJYJVNS-QGZVFWFLSA-N
MW294.36 g/mol
LogP1.77
Rot. Bonds2

About (3R)-1-benzylspiro[4H-pyrido[2,3-b]pyrazine-3,3'-pyrrolidine]-2-one

(3R)-1-benzylspiro[4H-pyrido[2,3-b]pyrazine-3,3'-pyrrolidine]-2-one (PubChem CID 137378618) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is (3R)-1-benzylspiro[4H-pyrido[2,3-b]pyrazine-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name(3R)-1-benzylspiro[4H-pyrido[2,3-b]pyrazine-3,3'-pyrrolidine]-2-one
PubChem CID137378618
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name(3R)-1-benzylspiro[4H-pyrido[2,3-b]pyrazine-3,3'-pyrrolidine]-2-one
SMILESO=C1N(Cc2ccccc2)c2cccnc2N[C@@]12CCNC2
InChIInChI=1S/C17H18N4O/c22-16-17(8-10-18-12-17)20-15-14(7-4-9-19-15)21(16)11-13-5-2-1-3-6-13/h1-7,9,18H,8,10-12H2,(H,19,20)/t17-/m1/s1
InChIKeyOLCZLABWJYJVNS-QGZVFWFLSA-N
XLogP1.77
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-fluorophenyl)methyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 75356044
3-(4-phenylbutyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 114334567
1-[(4-pyrazol-1-ylphenyl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one
CID 70721786
1-(quinolin-8-ylmethyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one;dihydrochloride
CID 154895878
1-benzylspiro[2H-pyrrolo[3,2-b]pyridine-3,3'-pyrrolidine]
CID 131669706
(5S)-3-[(4-chlorophenyl)methyl]-1,3,9-triazaspiro[4.5]decane-2,4-dione
CID 124604264
1-[(3,4-dichlorophenyl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one;hydrochloride
CID 155972674
1-benzyl-4-fluorospiro[indole-3,4'-piperidine]-2-one
CID 175186657
3-[(5-bromo-3-pyridinyl)methyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 104810318
3-[(4-phenylphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 4825856
1-[(5-chlorothiophen-2-yl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one;hydrochloride
CID 154897153
N-methyl-4-[(2-oxospiro[4H-quinoxaline-3,4'-piperidine]-1-yl)methyl]benzamide;hydrochloride
CID 154897183

Frequently Asked Questions

What is the IUPAC name of (3R)-1-benzylspiro[4H-pyrido[2,3-b]pyrazine-3,3'-pyrrolidine]-2-one?
The IUPAC name of (3R)-1-benzylspiro[4H-pyrido[2,3-b]pyrazine-3,3'-pyrrolidine]-2-one (CID 137378618) is (3R)-1-benzylspiro[4H-pyrido[2,3-b]pyrazine-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for (3R)-1-benzylspiro[4H-pyrido[2,3-b]pyrazine-3,3'-pyrrolidine]-2-one?
The canonical SMILES for (3R)-1-benzylspiro[4H-pyrido[2,3-b]pyrazine-3,3'-pyrrolidine]-2-one is O=C1N(Cc2ccccc2)c2cccnc2N[C@@]12CCNC2.
What is the InChIKey of (3R)-1-benzylspiro[4H-pyrido[2,3-b]pyrazine-3,3'-pyrrolidine]-2-one?
The InChIKey is OLCZLABWJYJVNS-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H18N4O/c22-16-17(8-10-18-12-17)20-15-14(7-4-9-19-15)21(16)11-13-5-2-1-3-6-13/h1-7,9,18H,8,10-12H2,(H,19,20)/t17-/m1/s1.
What are the key properties of (3R)-1-benzylspiro[4H-pyrido[2,3-b]pyrazine-3,3'-pyrrolidine]-2-one?
(3R)-1-benzylspiro[4H-pyrido[2,3-b]pyrazine-3,3'-pyrrolidine]-2-one has a molecular weight of 294.36 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-benzylspiro[4H-pyrido[2,3-b]pyrazine-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 137378618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).