4-[7-[4-(3-morpholin-4-ylpropoxy)phenyl]-2-thiophen-2-ylpyrido[2,3-b]pyrazin-3-yl]morpholine

C28H31N5O3S — CID 101445010

IUPAC4-[7-[4-(3-morpholin-4-ylpropoxy)phenyl]-2-thiophen-2-ylpyrido[2,3-b]pyrazin-3-yl]morpholine
SMILESc1csc(-c2nc3cc(-c4ccc(OCCCN5CCOCC5)cc4)cnc3nc2N2CCOCC2)c1
InChIInChI=1S/C28H31N5O3S/c1-3-25(37-18-1)26-28(33-11-16-35-17-12-33)31-27-24(30-26)19-22(20-29-27)21-4-6-23(7-5-21)36-13-2-8-32-9-14-34-15-10-32/h1,3-7,18-20H,2,8-17H2
InChIKeyUPYCHYIMYWGXIZ-UHFFFAOYSA-N
MW517.66 g/mol
LogP4.36
Rot. Bonds8

About 4-[7-[4-(3-morpholin-4-ylpropoxy)phenyl]-2-thiophen-2-ylpyrido[2,3-b]pyrazin-3-yl]morpholine

4-[7-[4-(3-morpholin-4-ylpropoxy)phenyl]-2-thiophen-2-ylpyrido[2,3-b]pyrazin-3-yl]morpholine (PubChem CID 101445010) has the molecular formula C28H31N5O3S and a molecular weight of 517.66 g/mol. Its IUPAC name is 4-[7-[4-(3-morpholin-4-ylpropoxy)phenyl]-2-thiophen-2-ylpyrido[2,3-b]pyrazin-3-yl]morpholine.

Molecular Properties

Compound Name4-[7-[4-(3-morpholin-4-ylpropoxy)phenyl]-2-thiophen-2-ylpyrido[2,3-b]pyrazin-3-yl]morpholine
PubChem CID101445010
Molecular FormulaC28H31N5O3S
Molecular Weight517.66 g/mol
Exact Mass517.21
IUPAC Name4-[7-[4-(3-morpholin-4-ylpropoxy)phenyl]-2-thiophen-2-ylpyrido[2,3-b]pyrazin-3-yl]morpholine
SMILESc1csc(-c2nc3cc(-c4ccc(OCCCN5CCOCC5)cc4)cnc3nc2N2CCOCC2)c1
InChIInChI=1S/C28H31N5O3S/c1-3-25(37-18-1)26-28(33-11-16-35-17-12-33)31-27-24(30-26)19-22(20-29-27)21-4-6-23(7-5-21)36-13-2-8-32-9-14-34-15-10-32/h1,3-7,18-20H,2,8-17H2
InChIKeyUPYCHYIMYWGXIZ-UHFFFAOYSA-N
XLogP4.36
TPSA72.84 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.66
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 4-[7-[4-(3-morpholin-4-ylpropoxy)phenyl]-2-thiophen-2-ylpyrido[2,3-b]pyrazin-3-yl]morpholine with MolForge

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Related Compounds

4-[3-[4-(3-ethyl-2-thiophen-2-ylpyrido[2,3-b]pyrazin-7-yl)phenoxy]propyl]morpholine
CID 101445008
7-[4-(3-chloropropoxy)phenyl]-3-[(1Z)-1-methylsulfanylbuta-1,3-dienyl]-2-thiophen-2-ylpyrido[2,3-b]pyrazine
CID 142989811
[2-[4-(3-morpholin-4-ylpropoxy)phenyl]-1,3-thiazol-5-yl]methanamine;hydrochloride
CID 126697388
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
4-[3-(4-methoxyphenoxy)propyl]morpholine
CID 2053845
4-(7-thiophen-2-ylquinazolin-4-yl)morpholine
CID 123590034
5-[4-morpholin-4-yl-6-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
CID 59829333
4-[2-[4-(6-ethyl-3-pyridinyl)phenoxy]ethyl]morpholine
CID 59845977
N-(3-morpholin-4-ylpropyl)-5-pyridin-2-yl-4-thiophen-2-ylpyrimidin-2-amine
CID 92577605
4-[3-(2-methyl-4-pyrrolidin-1-ylquinolin-7-yl)oxypropyl]morpholine;hydrochloride
CID 22641400

Frequently Asked Questions

What is the IUPAC name of 4-[7-[4-(3-morpholin-4-ylpropoxy)phenyl]-2-thiophen-2-ylpyrido[2,3-b]pyrazin-3-yl]morpholine?
The IUPAC name of 4-[7-[4-(3-morpholin-4-ylpropoxy)phenyl]-2-thiophen-2-ylpyrido[2,3-b]pyrazin-3-yl]morpholine (CID 101445010) is 4-[7-[4-(3-morpholin-4-ylpropoxy)phenyl]-2-thiophen-2-ylpyrido[2,3-b]pyrazin-3-yl]morpholine.
What is the SMILES notation for 4-[7-[4-(3-morpholin-4-ylpropoxy)phenyl]-2-thiophen-2-ylpyrido[2,3-b]pyrazin-3-yl]morpholine?
The canonical SMILES for 4-[7-[4-(3-morpholin-4-ylpropoxy)phenyl]-2-thiophen-2-ylpyrido[2,3-b]pyrazin-3-yl]morpholine is c1csc(-c2nc3cc(-c4ccc(OCCCN5CCOCC5)cc4)cnc3nc2N2CCOCC2)c1.
What is the InChIKey of 4-[7-[4-(3-morpholin-4-ylpropoxy)phenyl]-2-thiophen-2-ylpyrido[2,3-b]pyrazin-3-yl]morpholine?
The InChIKey is UPYCHYIMYWGXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N5O3S/c1-3-25(37-18-1)26-28(33-11-16-35-17-12-33)31-27-24(30-26)19-22(20-29-27)21-4-6-23(7-5-21)36-13-2-8-32-9-14-34-15-10-32/h1,3-7,18-20H,2,8-17H2.
What are the key properties of 4-[7-[4-(3-morpholin-4-ylpropoxy)phenyl]-2-thiophen-2-ylpyrido[2,3-b]pyrazin-3-yl]morpholine?
4-[7-[4-(3-morpholin-4-ylpropoxy)phenyl]-2-thiophen-2-ylpyrido[2,3-b]pyrazin-3-yl]morpholine has a molecular weight of 517.66 g/mol, XLogP of 4.36, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-[4-(3-morpholin-4-ylpropoxy)phenyl]-2-thiophen-2-ylpyrido[2,3-b]pyrazin-3-yl]morpholine is sourced from PubChem (CID 101445010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).