4-[3-[4-(3-ethyl-2-thiophen-2-ylpyrido[2,3-b]pyrazin-7-yl)phenoxy]propyl]morpholine

C26H28N4O2S — CID 101445008

IUPAC4-[3-[4-(3-ethyl-2-thiophen-2-ylpyrido[2,3-b]pyrazin-7-yl)phenoxy]propyl]morpholine
SMILESCCc1nc2ncc(-c3ccc(OCCCN4CCOCC4)cc3)cc2nc1-c1cccs1
InChIInChI=1S/C26H28N4O2S/c1-2-22-25(24-5-3-16-33-24)28-23-17-20(18-27-26(23)29-22)19-6-8-21(9-7-19)32-13-4-10-30-11-14-31-15-12-30/h3,5-9,16-18H,2,4,10-15H2,1H3
InChIKeyIUMPIHVEGXVAQJ-UHFFFAOYSA-N
MW460.60 g/mol
LogP5.08
Rot. Bonds8

About 4-[3-[4-(3-ethyl-2-thiophen-2-ylpyrido[2,3-b]pyrazin-7-yl)phenoxy]propyl]morpholine

4-[3-[4-(3-ethyl-2-thiophen-2-ylpyrido[2,3-b]pyrazin-7-yl)phenoxy]propyl]morpholine (PubChem CID 101445008) has the molecular formula C26H28N4O2S and a molecular weight of 460.60 g/mol. Its IUPAC name is 4-[3-[4-(3-ethyl-2-thiophen-2-ylpyrido[2,3-b]pyrazin-7-yl)phenoxy]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[4-(3-ethyl-2-thiophen-2-ylpyrido[2,3-b]pyrazin-7-yl)phenoxy]propyl]morpholine
PubChem CID101445008
Molecular FormulaC26H28N4O2S
Molecular Weight460.60 g/mol
Exact Mass460.19
IUPAC Name4-[3-[4-(3-ethyl-2-thiophen-2-ylpyrido[2,3-b]pyrazin-7-yl)phenoxy]propyl]morpholine
SMILESCCc1nc2ncc(-c3ccc(OCCCN4CCOCC4)cc3)cc2nc1-c1cccs1
InChIInChI=1S/C26H28N4O2S/c1-2-22-25(24-5-3-16-33-24)28-23-17-20(18-27-26(23)29-22)19-6-8-21(9-7-19)32-13-4-10-30-11-14-31-15-12-30/h3,5-9,16-18H,2,4,10-15H2,1H3
InChIKeyIUMPIHVEGXVAQJ-UHFFFAOYSA-N
XLogP5.08
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.60
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[7-[4-(3-morpholin-4-ylpropoxy)phenyl]-2-thiophen-2-ylpyrido[2,3-b]pyrazin-3-yl]morpholine
CID 101445010
7-[4-(3-chloropropoxy)phenyl]-3-[(1Z)-1-methylsulfanylbuta-1,3-dienyl]-2-thiophen-2-ylpyrido[2,3-b]pyrazine
CID 142989811
4-[2-[4-(6-ethyl-3-pyridinyl)phenoxy]ethyl]morpholine
CID 59845977
4-[3-(4-methoxyphenoxy)propyl]morpholine
CID 2053845
4-[3-[(6-bromo-3-pyridinyl)oxy]propyl]morpholine
CID 169006400
4-[4-(1-benzothiophen-6-yloxy)butyl]morpholine
CID 153402706
4-[2-[8-(thiophen-2-ylmethoxy)phenazin-2-yl]oxyethyl]morpholine
CID 155191722
[2-[4-(3-morpholin-4-ylpropoxy)phenyl]-1,3-thiazol-5-yl]methanamine;hydrochloride
CID 126697388
4-[2-(3-butoxyphenoxy)ethyl]morpholine
CID 2993436
4-[3-(2-methyl-4-pyrrolidin-1-ylquinolin-7-yl)oxypropyl]morpholine;hydrochloride
CID 22641400
3-[2-(4-ethoxyphenoxy)ethyl]-2-(morpholin-4-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one
CID 17398602
4-[3-[4-[(2S)-butan-2-yl]phenoxy]propyl]morpholine
CID 2299717

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(3-ethyl-2-thiophen-2-ylpyrido[2,3-b]pyrazin-7-yl)phenoxy]propyl]morpholine?
The IUPAC name of 4-[3-[4-(3-ethyl-2-thiophen-2-ylpyrido[2,3-b]pyrazin-7-yl)phenoxy]propyl]morpholine (CID 101445008) is 4-[3-[4-(3-ethyl-2-thiophen-2-ylpyrido[2,3-b]pyrazin-7-yl)phenoxy]propyl]morpholine.
What is the SMILES notation for 4-[3-[4-(3-ethyl-2-thiophen-2-ylpyrido[2,3-b]pyrazin-7-yl)phenoxy]propyl]morpholine?
The canonical SMILES for 4-[3-[4-(3-ethyl-2-thiophen-2-ylpyrido[2,3-b]pyrazin-7-yl)phenoxy]propyl]morpholine is CCc1nc2ncc(-c3ccc(OCCCN4CCOCC4)cc3)cc2nc1-c1cccs1.
What is the InChIKey of 4-[3-[4-(3-ethyl-2-thiophen-2-ylpyrido[2,3-b]pyrazin-7-yl)phenoxy]propyl]morpholine?
The InChIKey is IUMPIHVEGXVAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2S/c1-2-22-25(24-5-3-16-33-24)28-23-17-20(18-27-26(23)29-22)19-6-8-21(9-7-19)32-13-4-10-30-11-14-31-15-12-30/h3,5-9,16-18H,2,4,10-15H2,1H3.
What are the key properties of 4-[3-[4-(3-ethyl-2-thiophen-2-ylpyrido[2,3-b]pyrazin-7-yl)phenoxy]propyl]morpholine?
4-[3-[4-(3-ethyl-2-thiophen-2-ylpyrido[2,3-b]pyrazin-7-yl)phenoxy]propyl]morpholine has a molecular weight of 460.60 g/mol, XLogP of 5.08, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(3-ethyl-2-thiophen-2-ylpyrido[2,3-b]pyrazin-7-yl)phenoxy]propyl]morpholine is sourced from PubChem (CID 101445008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).