1-ethyl-3-[3-[3-ethyl-4-(3-morpholin-4-ylpropoxy)phenyl]pyrido[2,3-b]pyrazin-6-yl]urea

C25H32N6O3 — CID 70936084

IUPAC1-ethyl-3-[3-[3-ethyl-4-(3-morpholin-4-ylpropoxy)phenyl]pyrido[2,3-b]pyrazin-6-yl]urea
SMILESCCNC(=O)Nc1ccc2ncc(-c3ccc(OCCCN4CCOCC4)c(CC)c3)nc2n1
InChIInChI=1S/C25H32N6O3/c1-3-18-16-19(6-8-22(18)34-13-5-10-31-11-14-33-15-12-31)21-17-27-20-7-9-23(29-24(20)28-21)30-25(32)26-4-2/h6-9,16-17H,3-5,10-15H2,1-2H3,(H2,26,28,29,30,32)
InChIKeyIKSCYMKRMYBNFS-UHFFFAOYSA-N
MW464.57 g/mol
LogP3.50
Rot. Bonds9

About 1-ethyl-3-[3-[3-ethyl-4-(3-morpholin-4-ylpropoxy)phenyl]pyrido[2,3-b]pyrazin-6-yl]urea

1-ethyl-3-[3-[3-ethyl-4-(3-morpholin-4-ylpropoxy)phenyl]pyrido[2,3-b]pyrazin-6-yl]urea (PubChem CID 70936084) has the molecular formula C25H32N6O3 and a molecular weight of 464.57 g/mol. Its IUPAC name is 1-ethyl-3-[3-[3-ethyl-4-(3-morpholin-4-ylpropoxy)phenyl]pyrido[2,3-b]pyrazin-6-yl]urea.

Molecular Properties

Compound Name1-ethyl-3-[3-[3-ethyl-4-(3-morpholin-4-ylpropoxy)phenyl]pyrido[2,3-b]pyrazin-6-yl]urea
PubChem CID70936084
Molecular FormulaC25H32N6O3
Molecular Weight464.57 g/mol
Exact Mass464.25
IUPAC Name1-ethyl-3-[3-[3-ethyl-4-(3-morpholin-4-ylpropoxy)phenyl]pyrido[2,3-b]pyrazin-6-yl]urea
SMILESCCNC(=O)Nc1ccc2ncc(-c3ccc(OCCCN4CCOCC4)c(CC)c3)nc2n1
InChIInChI=1S/C25H32N6O3/c1-3-18-16-19(6-8-22(18)34-13-5-10-31-11-14-33-15-12-31)21-17-27-20-7-9-23(29-24(20)28-21)30-25(32)26-4-2/h6-9,16-17H,3-5,10-15H2,1-2H3,(H2,26,28,29,30,32)
InChIKeyIKSCYMKRMYBNFS-UHFFFAOYSA-N
XLogP3.50
TPSA101.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[3-[3-ethyl-4-(3-morpholin-4-ylpropoxy)phenyl]pyrido[2,3-b]pyrazin-6-yl]urea?
The IUPAC name of 1-ethyl-3-[3-[3-ethyl-4-(3-morpholin-4-ylpropoxy)phenyl]pyrido[2,3-b]pyrazin-6-yl]urea (CID 70936084) is 1-ethyl-3-[3-[3-ethyl-4-(3-morpholin-4-ylpropoxy)phenyl]pyrido[2,3-b]pyrazin-6-yl]urea.
What is the SMILES notation for 1-ethyl-3-[3-[3-ethyl-4-(3-morpholin-4-ylpropoxy)phenyl]pyrido[2,3-b]pyrazin-6-yl]urea?
The canonical SMILES for 1-ethyl-3-[3-[3-ethyl-4-(3-morpholin-4-ylpropoxy)phenyl]pyrido[2,3-b]pyrazin-6-yl]urea is CCNC(=O)Nc1ccc2ncc(-c3ccc(OCCCN4CCOCC4)c(CC)c3)nc2n1.
What is the InChIKey of 1-ethyl-3-[3-[3-ethyl-4-(3-morpholin-4-ylpropoxy)phenyl]pyrido[2,3-b]pyrazin-6-yl]urea?
The InChIKey is IKSCYMKRMYBNFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O3/c1-3-18-16-19(6-8-22(18)34-13-5-10-31-11-14-33-15-12-31)21-17-27-20-7-9-23(29-24(20)28-21)30-25(32)26-4-2/h6-9,16-17H,3-5,10-15H2,1-2H3,(H2,26,28,29,30,32).
What are the key properties of 1-ethyl-3-[3-[3-ethyl-4-(3-morpholin-4-ylpropoxy)phenyl]pyrido[2,3-b]pyrazin-6-yl]urea?
1-ethyl-3-[3-[3-ethyl-4-(3-morpholin-4-ylpropoxy)phenyl]pyrido[2,3-b]pyrazin-6-yl]urea has a molecular weight of 464.57 g/mol, XLogP of 3.50, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[3-[3-ethyl-4-(3-morpholin-4-ylpropoxy)phenyl]pyrido[2,3-b]pyrazin-6-yl]urea is sourced from PubChem (CID 70936084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).