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

C22H26N6O3 — CID 118474575

IUPAC(2S)-2-[[7-[4-(dimethylamino)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-N-methylmorpholine-4-carboxamide
SMILESCNC(=O)N1CCO[C@H](COc2nc(-c3ccc(N(C)C)cc3)cc3nccnc23)C1
InChIInChI=1S/C22H26N6O3/c1-23-22(29)28-10-11-30-17(13-28)14-31-21-20-19(24-8-9-25-20)12-18(26-21)15-4-6-16(7-5-15)27(2)3/h4-9,12,17H,10-11,13-14H2,1-3H3,(H,23,29)/t17-/m0/s1
InChIKeyYHCSTJWZUPJHCF-KRWDZBQOSA-N
MW422.49 g/mol
LogP2.18
Rot. Bonds5

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

(2S)-2-[[7-[4-(dimethylamino)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-N-methylmorpholine-4-carboxamide (PubChem CID 118474575) has the molecular formula C22H26N6O3 and a molecular weight of 422.49 g/mol. Its IUPAC name is (2S)-2-[[7-[4-(dimethylamino)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-N-methylmorpholine-4-carboxamide.

Molecular Properties

Compound Name(2S)-2-[[7-[4-(dimethylamino)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-N-methylmorpholine-4-carboxamide
PubChem CID118474575
Molecular FormulaC22H26N6O3
Molecular Weight422.49 g/mol
Exact Mass422.21
IUPAC Name(2S)-2-[[7-[4-(dimethylamino)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-N-methylmorpholine-4-carboxamide
SMILESCNC(=O)N1CCO[C@H](COc2nc(-c3ccc(N(C)C)cc3)cc3nccnc23)C1
InChIInChI=1S/C22H26N6O3/c1-23-22(29)28-10-11-30-17(13-28)14-31-21-20-19(24-8-9-25-20)12-18(26-21)15-4-6-16(7-5-15)27(2)3/h4-9,12,17H,10-11,13-14H2,1-3H3,(H,23,29)/t17-/m0/s1
InChIKeyYHCSTJWZUPJHCF-KRWDZBQOSA-N
XLogP2.18
TPSA92.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

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)-3-fluorophenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-N-methylmorpholine-4-carboxamide
CID 118633293
(2,2-difluorocyclopropyl)-[(2S)-2-[[7-[4-(dimethylamino)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholin-4-yl]methanone
CID 90213354
[(2S)-2-[[7-[4-(dimethylamino)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholin-4-yl]-(4-hydroxycyclohexyl)methanone;methane;sulfane
CID 160813289
5-[(2S)-2-[[7-[4-(dimethylamino)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholin-4-yl]-5-oxopentanenitrile
CID 75203145
(2S)-3-[(2S)-2-[[7-[4-(dimethylamino)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholin-4-yl]-2-hydroxypropanal
CID 134348297
1-[(2S)-2-[[7-[4-(dimethylamino)-3,5-dimethylphenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholin-4-yl]ethanone
CID 118633257
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-tert-butylphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine-4-carboxamide
CID 118633318
(2S)-2-[[7-[3-chloro-4-(dimethylamino)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine-4-carboxamide;sulfane
CID 158925871
(2S)-2-[[7-[4-(dimethylamino)-3-fluorophenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine-4-carboxamide;sulfane
CID 161481119
2-[4-[4-[5-[[(2S)-4-acetylmorpholin-2-yl]methoxy]pyrido[3,4-b]pyrazin-7-yl]phenyl]piperidin-1-yl]acetaldehyde
CID 134348269

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[7-[4-(dimethylamino)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-N-methylmorpholine-4-carboxamide?
The IUPAC name of (2S)-2-[[7-[4-(dimethylamino)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-N-methylmorpholine-4-carboxamide (CID 118474575) is (2S)-2-[[7-[4-(dimethylamino)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-N-methylmorpholine-4-carboxamide.
What is the SMILES notation for (2S)-2-[[7-[4-(dimethylamino)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-N-methylmorpholine-4-carboxamide?
The canonical SMILES for (2S)-2-[[7-[4-(dimethylamino)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-N-methylmorpholine-4-carboxamide is CNC(=O)N1CCO[C@H](COc2nc(-c3ccc(N(C)C)cc3)cc3nccnc23)C1.
What is the InChIKey of (2S)-2-[[7-[4-(dimethylamino)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-N-methylmorpholine-4-carboxamide?
The InChIKey is YHCSTJWZUPJHCF-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H26N6O3/c1-23-22(29)28-10-11-30-17(13-28)14-31-21-20-19(24-8-9-25-20)12-18(26-21)15-4-6-16(7-5-15)27(2)3/h4-9,12,17H,10-11,13-14H2,1-3H3,(H,23,29)/t17-/m0/s1.
What are the key properties of (2S)-2-[[7-[4-(dimethylamino)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-N-methylmorpholine-4-carboxamide?
(2S)-2-[[7-[4-(dimethylamino)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-N-methylmorpholine-4-carboxamide has a molecular weight of 422.49 g/mol, XLogP of 2.18, 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)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-N-methylmorpholine-4-carboxamide is sourced from PubChem (CID 118474575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).