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

C22H25N5O5 — CID 129178723

IUPAC2-[[7-(3,4-dimethoxyphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-N-methylmorpholine-4-carboxamide
SMILESCNC(=O)N1CCOC(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)
InChIKeyIVQMRRCNSRITCX-UHFFFAOYSA-N
MW439.47 g/mol
LogP2.13
Rot. Bonds6

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

2-[[7-(3,4-dimethoxyphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-N-methylmorpholine-4-carboxamide (PubChem CID 129178723) has the molecular formula C22H25N5O5 and a molecular weight of 439.47 g/mol. Its IUPAC name is 2-[[7-(3,4-dimethoxyphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-N-methylmorpholine-4-carboxamide.

Molecular Properties

Compound Name2-[[7-(3,4-dimethoxyphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-N-methylmorpholine-4-carboxamide
PubChem CID129178723
Molecular FormulaC22H25N5O5
Molecular Weight439.47 g/mol
Exact Mass439.19
IUPAC Name2-[[7-(3,4-dimethoxyphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-N-methylmorpholine-4-carboxamide
SMILESCNC(=O)N1CCOC(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)
InChIKeyIVQMRRCNSRITCX-UHFFFAOYSA-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 2-[[7-(3,4-dimethoxyphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-N-methylmorpholine-4-carboxamide?
The IUPAC name of 2-[[7-(3,4-dimethoxyphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-N-methylmorpholine-4-carboxamide (CID 129178723) is 2-[[7-(3,4-dimethoxyphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-N-methylmorpholine-4-carboxamide.
What is the SMILES notation for 2-[[7-(3,4-dimethoxyphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-N-methylmorpholine-4-carboxamide?
The canonical SMILES for 2-[[7-(3,4-dimethoxyphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-N-methylmorpholine-4-carboxamide is CNC(=O)N1CCOC(COc2nc(-c3ccc(OC)c(OC)c3)cc3nccnc23)C1.
What is the InChIKey of 2-[[7-(3,4-dimethoxyphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-N-methylmorpholine-4-carboxamide?
The InChIKey is IVQMRRCNSRITCX-UHFFFAOYSA-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).
What are the key properties of 2-[[7-(3,4-dimethoxyphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-N-methylmorpholine-4-carboxamide?
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 2-[[7-(3,4-dimethoxyphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-N-methylmorpholine-4-carboxamide is sourced from PubChem (CID 129178723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).