1-[2-[[7-(4-piperidin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholin-4-yl]ethanone

C25H29N5O3 — CID 129178700

IUPAC1-[2-[[7-(4-piperidin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholin-4-yl]ethanone
SMILESCC(=O)N1CCOC(COc2nc(-c3ccc(C4CCNCC4)cc3)cc3nccnc23)C1
InChIInChI=1S/C25H29N5O3/c1-17(31)30-12-13-32-21(15-30)16-33-25-24-23(27-10-11-28-24)14-22(29-25)20-4-2-18(3-5-20)19-6-8-26-9-7-19/h2-5,10-11,14,19,21,26H,6-9,12-13,15-16H2,1H3
InChIKeyHJFRBKPBLNQWLR-UHFFFAOYSA-N
MW447.54 g/mol
LogP2.78
Rot. Bonds5

About 1-[2-[[7-(4-piperidin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholin-4-yl]ethanone

1-[2-[[7-(4-piperidin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholin-4-yl]ethanone (PubChem CID 129178700) has the molecular formula C25H29N5O3 and a molecular weight of 447.54 g/mol. Its IUPAC name is 1-[2-[[7-(4-piperidin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholin-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-[[7-(4-piperidin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholin-4-yl]ethanone
PubChem CID129178700
Molecular FormulaC25H29N5O3
Molecular Weight447.54 g/mol
Exact Mass447.23
IUPAC Name1-[2-[[7-(4-piperidin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholin-4-yl]ethanone
SMILESCC(=O)N1CCOC(COc2nc(-c3ccc(C4CCNCC4)cc3)cc3nccnc23)C1
InChIInChI=1S/C25H29N5O3/c1-17(31)30-12-13-32-21(15-30)16-33-25-24-23(27-10-11-28-24)14-22(29-25)20-4-2-18(3-5-20)19-6-8-26-9-7-19/h2-5,10-11,14,19,21,26H,6-9,12-13,15-16H2,1H3
InChIKeyHJFRBKPBLNQWLR-UHFFFAOYSA-N
XLogP2.78
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[7-(4-piperidin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholin-4-yl]ethanone?
The IUPAC name of 1-[2-[[7-(4-piperidin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholin-4-yl]ethanone (CID 129178700) is 1-[2-[[7-(4-piperidin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholin-4-yl]ethanone.
What is the SMILES notation for 1-[2-[[7-(4-piperidin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholin-4-yl]ethanone?
The canonical SMILES for 1-[2-[[7-(4-piperidin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholin-4-yl]ethanone is CC(=O)N1CCOC(COc2nc(-c3ccc(C4CCNCC4)cc3)cc3nccnc23)C1.
What is the InChIKey of 1-[2-[[7-(4-piperidin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholin-4-yl]ethanone?
The InChIKey is HJFRBKPBLNQWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O3/c1-17(31)30-12-13-32-21(15-30)16-33-25-24-23(27-10-11-28-24)14-22(29-25)20-4-2-18(3-5-20)19-6-8-26-9-7-19/h2-5,10-11,14,19,21,26H,6-9,12-13,15-16H2,1H3.
What are the key properties of 1-[2-[[7-(4-piperidin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholin-4-yl]ethanone?
1-[2-[[7-(4-piperidin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholin-4-yl]ethanone has a molecular weight of 447.54 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[7-(4-piperidin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholin-4-yl]ethanone is sourced from PubChem (CID 129178700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).