2-ethyl-2-[[7-(4-propan-2-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine-4-carboxamide

C24H29N5O3 — CID 123984596

IUPAC2-ethyl-2-[[7-(4-propan-2-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine-4-carboxamide
SMILESCCC1(COc2nc(-c3ccc(C(C)C)cc3)cc3nccnc23)CN(C(N)=O)CCO1
InChIInChI=1S/C24H29N5O3/c1-4-24(14-29(23(25)30)11-12-32-24)15-31-22-21-20(26-9-10-27-21)13-19(28-22)18-7-5-17(6-8-18)16(2)3/h5-10,13,16H,4,11-12,14-15H2,1-3H3,(H2,25,30)
InChIKeyAZNXSILYSWOUGF-UHFFFAOYSA-N
MW435.53 g/mol
LogP3.75
Rot. Bonds6

About 2-ethyl-2-[[7-(4-propan-2-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine-4-carboxamide

2-ethyl-2-[[7-(4-propan-2-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine-4-carboxamide (PubChem CID 123984596) has the molecular formula C24H29N5O3 and a molecular weight of 435.53 g/mol. Its IUPAC name is 2-ethyl-2-[[7-(4-propan-2-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name2-ethyl-2-[[7-(4-propan-2-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine-4-carboxamide
PubChem CID123984596
Molecular FormulaC24H29N5O3
Molecular Weight435.53 g/mol
Exact Mass435.23
IUPAC Name2-ethyl-2-[[7-(4-propan-2-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine-4-carboxamide
SMILESCCC1(COc2nc(-c3ccc(C(C)C)cc3)cc3nccnc23)CN(C(N)=O)CCO1
InChIInChI=1S/C24H29N5O3/c1-4-24(14-29(23(25)30)11-12-32-24)15-31-22-21-20(26-9-10-27-21)13-19(28-22)18-7-5-17(6-8-18)16(2)3/h5-10,13,16H,4,11-12,14-15H2,1-3H3,(H2,25,30)
InChIKeyAZNXSILYSWOUGF-UHFFFAOYSA-N
XLogP3.75
TPSA103.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[7-(4-propan-2-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine-4-carboxamide?
The IUPAC name of 2-ethyl-2-[[7-(4-propan-2-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine-4-carboxamide (CID 123984596) is 2-ethyl-2-[[7-(4-propan-2-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine-4-carboxamide.
What is the SMILES notation for 2-ethyl-2-[[7-(4-propan-2-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine-4-carboxamide?
The canonical SMILES for 2-ethyl-2-[[7-(4-propan-2-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine-4-carboxamide is CCC1(COc2nc(-c3ccc(C(C)C)cc3)cc3nccnc23)CN(C(N)=O)CCO1.
What is the InChIKey of 2-ethyl-2-[[7-(4-propan-2-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine-4-carboxamide?
The InChIKey is AZNXSILYSWOUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3/c1-4-24(14-29(23(25)30)11-12-32-24)15-31-22-21-20(26-9-10-27-21)13-19(28-22)18-7-5-17(6-8-18)16(2)3/h5-10,13,16H,4,11-12,14-15H2,1-3H3,(H2,25,30).
What are the key properties of 2-ethyl-2-[[7-(4-propan-2-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine-4-carboxamide?
2-ethyl-2-[[7-(4-propan-2-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine-4-carboxamide has a molecular weight of 435.53 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[7-(4-propan-2-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine-4-carboxamide is sourced from PubChem (CID 123984596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).