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

C22H25N5O5 — CID 118633288

IUPAC(2S)-2-[[7-(3,4-dimethoxyphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-N-methylmorpholine-4-carboxamide
SMILESCNC(=O)N1CCO[C@H](COc2nc(-c3ccc(OC)c(OC)c3)cc3nccnc23)C1
InChIInChI=1S/C22H25N5O5/c1-23-22(28)27-8-9-31-15(12-27)13-32-21-20-17(24-6-7-25-20)11-16(26-21)14-4-5-18(29-2)19(10-14)30-3/h4-7,10-11,15H,8-9,12-13H2,1-3H3,(H,23,28)/t15-/m0/s1
InChIKeyIVQMRRCNSRITCX-HNNXBMFYSA-N
MW439.47 g/mol
LogP2.13
Rot. Bonds6

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

(2S)-2-[[7-(3,4-dimethoxyphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-N-methylmorpholine-4-carboxamide (PubChem CID 118633288) has the molecular formula C22H25N5O5 and a molecular weight of 439.47 g/mol. Its IUPAC name is (2S)-2-[[7-(3,4-dimethoxyphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-N-methylmorpholine-4-carboxamide.

Molecular Properties

Compound Name(2S)-2-[[7-(3,4-dimethoxyphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-N-methylmorpholine-4-carboxamide
PubChem CID118633288
Molecular FormulaC22H25N5O5
Molecular Weight439.47 g/mol
Exact Mass439.19
IUPAC Name(2S)-2-[[7-(3,4-dimethoxyphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-N-methylmorpholine-4-carboxamide
SMILESCNC(=O)N1CCO[C@H](COc2nc(-c3ccc(OC)c(OC)c3)cc3nccnc23)C1
InChIInChI=1S/C22H25N5O5/c1-23-22(28)27-8-9-31-15(12-27)13-32-21-20-17(24-6-7-25-20)11-16(26-21)14-4-5-18(29-2)19(10-14)30-3/h4-7,10-11,15H,8-9,12-13H2,1-3H3,(H,23,28)/t15-/m0/s1
InChIKeyIVQMRRCNSRITCX-HNNXBMFYSA-N
XLogP2.13
TPSA107.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.47
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[7-(3,4-dimethoxyphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-N-methylmorpholine-4-carboxamide?
The IUPAC name of (2S)-2-[[7-(3,4-dimethoxyphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-N-methylmorpholine-4-carboxamide (CID 118633288) is (2S)-2-[[7-(3,4-dimethoxyphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-N-methylmorpholine-4-carboxamide.
What is the SMILES notation for (2S)-2-[[7-(3,4-dimethoxyphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-N-methylmorpholine-4-carboxamide?
The canonical SMILES for (2S)-2-[[7-(3,4-dimethoxyphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-N-methylmorpholine-4-carboxamide is CNC(=O)N1CCO[C@H](COc2nc(-c3ccc(OC)c(OC)c3)cc3nccnc23)C1.
What is the InChIKey of (2S)-2-[[7-(3,4-dimethoxyphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-N-methylmorpholine-4-carboxamide?
The InChIKey is IVQMRRCNSRITCX-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H25N5O5/c1-23-22(28)27-8-9-31-15(12-27)13-32-21-20-17(24-6-7-25-20)11-16(26-21)14-4-5-18(29-2)19(10-14)30-3/h4-7,10-11,15H,8-9,12-13H2,1-3H3,(H,23,28)/t15-/m0/s1.
What are the key properties of (2S)-2-[[7-(3,4-dimethoxyphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-N-methylmorpholine-4-carboxamide?
(2S)-2-[[7-(3,4-dimethoxyphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-N-methylmorpholine-4-carboxamide has a molecular weight of 439.47 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[7-(3,4-dimethoxyphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-N-methylmorpholine-4-carboxamide is sourced from PubChem (CID 118633288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).