(2S)-2-[[7-[4-(dimethylamino)-3-fluorophenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-N-methylmorpholine-4-carboxamide

C22H25FN6O3 — CID 118633293

IUPAC(2S)-2-[[7-[4-(dimethylamino)-3-fluorophenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-N-methylmorpholine-4-carboxamide
SMILESCNC(=O)N1CCO[C@H](COc2nc(-c3ccc(N(C)C)c(F)c3)cc3nccnc23)C1
InChIInChI=1S/C22H25FN6O3/c1-24-22(30)29-8-9-31-15(12-29)13-32-21-20-18(25-6-7-26-20)11-17(27-21)14-4-5-19(28(2)3)16(23)10-14/h4-7,10-11,15H,8-9,12-13H2,1-3H3,(H,24,30)/t15-/m0/s1
InChIKeyOYMQTKSDPUJVDV-HNNXBMFYSA-N
MW440.48 g/mol
LogP2.32
Rot. Bonds5

About (2S)-2-[[7-[4-(dimethylamino)-3-fluorophenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-N-methylmorpholine-4-carboxamide

(2S)-2-[[7-[4-(dimethylamino)-3-fluorophenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-N-methylmorpholine-4-carboxamide (PubChem CID 118633293) has the molecular formula C22H25FN6O3 and a molecular weight of 440.48 g/mol. Its IUPAC name is (2S)-2-[[7-[4-(dimethylamino)-3-fluorophenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-N-methylmorpholine-4-carboxamide.

Molecular Properties

Compound Name(2S)-2-[[7-[4-(dimethylamino)-3-fluorophenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-N-methylmorpholine-4-carboxamide
PubChem CID118633293
Molecular FormulaC22H25FN6O3
Molecular Weight440.48 g/mol
Exact Mass440.20
IUPAC Name(2S)-2-[[7-[4-(dimethylamino)-3-fluorophenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-N-methylmorpholine-4-carboxamide
SMILESCNC(=O)N1CCO[C@H](COc2nc(-c3ccc(N(C)C)c(F)c3)cc3nccnc23)C1
InChIInChI=1S/C22H25FN6O3/c1-24-22(30)29-8-9-31-15(12-29)13-32-21-20-18(25-6-7-26-20)11-17(27-21)14-4-5-19(28(2)3)16(23)10-14/h4-7,10-11,15H,8-9,12-13H2,1-3H3,(H,24,30)/t15-/m0/s1
InChIKeyOYMQTKSDPUJVDV-HNNXBMFYSA-N
XLogP2.32
TPSA92.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.48
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[2-[[7-[4-(dimethylamino)-3-fluorophenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholin-4-yl]ethanone
CID 129178702
(2S)-2-[[7-[4-(dimethylamino)-3-fluorophenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine-4-carboxamide;sulfane
CID 161481119
(2S)-2-[[7-[4-(dimethylamino)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-N-methylmorpholine-4-carboxamide
CID 118474575
(2S)-2-[[7-[3-chloro-4-(dimethylamino)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine-4-carboxamide;sulfane
CID 158925871
1-[(2S)-2-[[7-[4-(dimethylamino)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholin-4-yl]ethanone
CID 75202898
(2,2-difluorocyclopropyl)-[(2S)-2-[[7-[4-(dimethylamino)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholin-4-yl]methanone
CID 90213354
1-[(2S)-2-[[7-[4-(dimethylamino)-3,5-dimethylphenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholin-4-yl]ethanone
CID 118633257
[(2S)-2-[[7-[4-(dimethylamino)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholin-4-yl]-(4-hydroxycyclohexyl)methanone;methane;sulfane
CID 160813289
(2S)-2-[[7-(4-tert-butylphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine-4-carboxamide
CID 118633318
5-[(2S)-2-[[7-[4-(dimethylamino)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholin-4-yl]-5-oxopentanenitrile
CID 75203145
2-[4-[4-[5-[[(2S)-4-acetylmorpholin-2-yl]methoxy]pyrido[3,4-b]pyrazin-7-yl]phenyl]piperidin-1-yl]acetaldehyde
CID 134348269
1-[2-[[7-[4-(1-hydroxycyclobutyl)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholin-4-yl]ethanone
CID 123621934

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[7-[4-(dimethylamino)-3-fluorophenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-N-methylmorpholine-4-carboxamide?
The IUPAC name of (2S)-2-[[7-[4-(dimethylamino)-3-fluorophenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-N-methylmorpholine-4-carboxamide (CID 118633293) is (2S)-2-[[7-[4-(dimethylamino)-3-fluorophenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-N-methylmorpholine-4-carboxamide.
What is the SMILES notation for (2S)-2-[[7-[4-(dimethylamino)-3-fluorophenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-N-methylmorpholine-4-carboxamide?
The canonical SMILES for (2S)-2-[[7-[4-(dimethylamino)-3-fluorophenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-N-methylmorpholine-4-carboxamide is CNC(=O)N1CCO[C@H](COc2nc(-c3ccc(N(C)C)c(F)c3)cc3nccnc23)C1.
What is the InChIKey of (2S)-2-[[7-[4-(dimethylamino)-3-fluorophenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-N-methylmorpholine-4-carboxamide?
The InChIKey is OYMQTKSDPUJVDV-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H25FN6O3/c1-24-22(30)29-8-9-31-15(12-29)13-32-21-20-18(25-6-7-26-20)11-17(27-21)14-4-5-19(28(2)3)16(23)10-14/h4-7,10-11,15H,8-9,12-13H2,1-3H3,(H,24,30)/t15-/m0/s1.
What are the key properties of (2S)-2-[[7-[4-(dimethylamino)-3-fluorophenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-N-methylmorpholine-4-carboxamide?
(2S)-2-[[7-[4-(dimethylamino)-3-fluorophenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-N-methylmorpholine-4-carboxamide has a molecular weight of 440.48 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[7-[4-(dimethylamino)-3-fluorophenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-N-methylmorpholine-4-carboxamide is sourced from PubChem (CID 118633293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).