(2S)-2-[[7-(1,1-dimethyl-3H-2-benzofuran-5-yl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine-4-carboxamide

C23H25N5O4 — CID 90213304

IUPAC(2S)-2-[[7-(1,1-dimethyl-3H-2-benzofuran-5-yl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine-4-carboxamide
SMILESCC1(C)OCc2cc(-c3cc4nccnc4c(OC[C@@H]4CN(C(N)=O)CCO4)n3)ccc21
InChIInChI=1S/C23H25N5O4/c1-23(2)17-4-3-14(9-15(17)12-32-23)18-10-19-20(26-6-5-25-19)21(27-18)31-13-16-11-28(22(24)29)7-8-30-16/h3-6,9-10,16H,7-8,11-13H2,1-2H3,(H2,24,29)/t16-/m0/s1
InChIKeyHWCBXAOTSCXELU-INIZCTEOSA-N
MW435.48 g/mol
LogP2.62
Rot. Bonds4

About (2S)-2-[[7-(1,1-dimethyl-3H-2-benzofuran-5-yl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine-4-carboxamide

(2S)-2-[[7-(1,1-dimethyl-3H-2-benzofuran-5-yl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine-4-carboxamide (PubChem CID 90213304) has the molecular formula C23H25N5O4 and a molecular weight of 435.48 g/mol. Its IUPAC name is (2S)-2-[[7-(1,1-dimethyl-3H-2-benzofuran-5-yl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name(2S)-2-[[7-(1,1-dimethyl-3H-2-benzofuran-5-yl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine-4-carboxamide
PubChem CID90213304
Molecular FormulaC23H25N5O4
Molecular Weight435.48 g/mol
Exact Mass435.19
IUPAC Name(2S)-2-[[7-(1,1-dimethyl-3H-2-benzofuran-5-yl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine-4-carboxamide
SMILESCC1(C)OCc2cc(-c3cc4nccnc4c(OC[C@@H]4CN(C(N)=O)CCO4)n3)ccc21
InChIInChI=1S/C23H25N5O4/c1-23(2)17-4-3-14(9-15(17)12-32-23)18-10-19-20(26-6-5-25-19)21(27-18)31-13-16-11-28(22(24)29)7-8-30-16/h3-6,9-10,16H,7-8,11-13H2,1-2H3,(H2,24,29)/t16-/m0/s1
InChIKeyHWCBXAOTSCXELU-INIZCTEOSA-N
XLogP2.62
TPSA112.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-2-[[7-(4-tert-butylphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine-4-carboxamide
CID 118633318
(2S)-2-[[7-[4-[(2R)-2-hydroxypropyl]phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine-4-carboxamide
CID 134348294
(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
1-[(2S)-2-[[7-[4-(dimethylamino)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholin-4-yl]ethanone
CID 75202898
(2S)-2-[(7-chloropyrido[3,4-b]pyrazin-5-yl)oxymethyl]morpholine-4-carboxamide
CID 90213281
1-[2-[[7-[4-(1-hydroxycyclobutyl)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholin-4-yl]ethanone
CID 123621934
1-[2-[[7-[4-(dimethylamino)-3-fluorophenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholin-4-yl]ethanone
CID 129178702
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]-N-methylmorpholine-4-carboxamide
CID 118474575
1-[2-[[7-(4-piperidin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholin-4-yl]ethanone
CID 129178700
(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 (2S)-2-[[7-(1,1-dimethyl-3H-2-benzofuran-5-yl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine-4-carboxamide?
The IUPAC name of (2S)-2-[[7-(1,1-dimethyl-3H-2-benzofuran-5-yl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine-4-carboxamide (CID 90213304) is (2S)-2-[[7-(1,1-dimethyl-3H-2-benzofuran-5-yl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine-4-carboxamide.
What is the SMILES notation for (2S)-2-[[7-(1,1-dimethyl-3H-2-benzofuran-5-yl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine-4-carboxamide?
The canonical SMILES for (2S)-2-[[7-(1,1-dimethyl-3H-2-benzofuran-5-yl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine-4-carboxamide is CC1(C)OCc2cc(-c3cc4nccnc4c(OC[C@@H]4CN(C(N)=O)CCO4)n3)ccc21.
What is the InChIKey of (2S)-2-[[7-(1,1-dimethyl-3H-2-benzofuran-5-yl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine-4-carboxamide?
The InChIKey is HWCBXAOTSCXELU-INIZCTEOSA-N. The full InChI is InChI=1S/C23H25N5O4/c1-23(2)17-4-3-14(9-15(17)12-32-23)18-10-19-20(26-6-5-25-19)21(27-18)31-13-16-11-28(22(24)29)7-8-30-16/h3-6,9-10,16H,7-8,11-13H2,1-2H3,(H2,24,29)/t16-/m0/s1.
What are the key properties of (2S)-2-[[7-(1,1-dimethyl-3H-2-benzofuran-5-yl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine-4-carboxamide?
(2S)-2-[[7-(1,1-dimethyl-3H-2-benzofuran-5-yl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine-4-carboxamide has a molecular weight of 435.48 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[7-(1,1-dimethyl-3H-2-benzofuran-5-yl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine-4-carboxamide is sourced from PubChem (CID 90213304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).