(4R)-4-[[7-[4-(dimethylamino)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]pyrrolidin-2-one

C20H21N5O2 — CID 118633325

IUPAC(4R)-4-[[7-[4-(dimethylamino)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]pyrrolidin-2-one
SMILESCN(C)c1ccc(-c2cc3nccnc3c(OC[C@H]3CNC(=O)C3)n2)cc1
InChIInChI=1S/C20H21N5O2/c1-25(2)15-5-3-14(4-6-15)16-10-17-19(22-8-7-21-17)20(24-16)27-12-13-9-18(26)23-11-13/h3-8,10,13H,9,11-12H2,1-2H3,(H,23,26)/t13-/m1/s1
InChIKeyFFJXLCWPEACOKK-CYBMUJFWSA-N
MW363.42 g/mol
LogP2.27
Rot. Bonds5

About (4R)-4-[[7-[4-(dimethylamino)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]pyrrolidin-2-one

(4R)-4-[[7-[4-(dimethylamino)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]pyrrolidin-2-one (PubChem CID 118633325) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is (4R)-4-[[7-[4-(dimethylamino)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[[7-[4-(dimethylamino)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]pyrrolidin-2-one
PubChem CID118633325
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name(4R)-4-[[7-[4-(dimethylamino)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]pyrrolidin-2-one
SMILESCN(C)c1ccc(-c2cc3nccnc3c(OC[C@H]3CNC(=O)C3)n2)cc1
InChIInChI=1S/C20H21N5O2/c1-25(2)15-5-3-14(4-6-15)16-10-17-19(22-8-7-21-17)20(24-16)27-12-13-9-18(26)23-11-13/h3-8,10,13H,9,11-12H2,1-2H3,(H,23,26)/t13-/m1/s1
InChIKeyFFJXLCWPEACOKK-CYBMUJFWSA-N
XLogP2.27
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4R)-4-[[7-[4-(dimethylamino)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]pyrrolidin-2-one with MolForge

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Related Compounds

(4S)-4-[[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]pyrrolidin-2-one;sulfane
CID 160729539
4-[[7-[4-(1-methylsulfonylpiperidin-4-yl)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]pyrrolidin-2-one
CID 118624756
4-[(7-chloropyrido[3,4-b]pyrazin-5-yl)oxymethyl]pyrrolidin-2-one
CID 90202720
(4R)-4-[[7-[4-(trifluoromethyl)phenyl]-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one
CID 58072029
1-[(2S)-2-[[7-[4-(dimethylamino)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholin-4-yl]ethanone
CID 75202898
(2S)-2-[[7-[4-(dimethylamino)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-N-methylmorpholine-4-carboxamide
CID 118474575
5-[(7-chloropyrido[3,4-b]pyrazin-5-yl)oxymethyl]piperidin-2-one
CID 118468507
4-[[7-(4-fluoro-3-methoxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one
CID 76687103
N,N-dimethyl-5-[5-[[(2S)-morpholin-2-yl]methoxy]pyrido[3,4-b]pyrazin-7-yl]pyridin-2-amine;hydrochloride
CID 66556886
N,N-dimethyl-5-[5-[[(3S)-piperidin-3-yl]methoxy]pyrido[3,4-b]pyrazin-7-yl]pyrimidin-2-amine
CID 66557055
(2S)-3-[(2S)-2-[[7-[4-(dimethylamino)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholin-4-yl]-2-hydroxypropanal
CID 134348297
(2,2-difluorocyclopropyl)-[(2S)-2-[[7-[4-(dimethylamino)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholin-4-yl]methanone
CID 90213354

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[[7-[4-(dimethylamino)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[[7-[4-(dimethylamino)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]pyrrolidin-2-one (CID 118633325) is (4R)-4-[[7-[4-(dimethylamino)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[[7-[4-(dimethylamino)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[[7-[4-(dimethylamino)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]pyrrolidin-2-one is CN(C)c1ccc(-c2cc3nccnc3c(OC[C@H]3CNC(=O)C3)n2)cc1.
What is the InChIKey of (4R)-4-[[7-[4-(dimethylamino)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]pyrrolidin-2-one?
The InChIKey is FFJXLCWPEACOKK-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-25(2)15-5-3-14(4-6-15)16-10-17-19(22-8-7-21-17)20(24-16)27-12-13-9-18(26)23-11-13/h3-8,10,13H,9,11-12H2,1-2H3,(H,23,26)/t13-/m1/s1.
What are the key properties of (4R)-4-[[7-[4-(dimethylamino)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]pyrrolidin-2-one?
(4R)-4-[[7-[4-(dimethylamino)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]pyrrolidin-2-one has a molecular weight of 363.42 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[[7-[4-(dimethylamino)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]pyrrolidin-2-one is sourced from PubChem (CID 118633325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).