1-(4-morpholin-4-ylbutyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea

C22H26N6O2 — CID 58881850

IUPAC1-(4-morpholin-4-ylbutyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea
SMILESO=C(NCCCCN1CCOCC1)Nc1ccc2ncc(-c3ccccc3)nc2n1
InChIInChI=1S/C22H26N6O2/c29-22(23-10-4-5-11-28-12-14-30-15-13-28)27-20-9-8-18-21(26-20)25-19(16-24-18)17-6-2-1-3-7-17/h1-3,6-9,16H,4-5,10-15H2,(H2,23,25,26,27,29)
InChIKeyKVVAPWSFHBIEEJ-UHFFFAOYSA-N
MW406.49 g/mol
LogP2.93
Rot. Bonds7

About 1-(4-morpholin-4-ylbutyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea

1-(4-morpholin-4-ylbutyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea (PubChem CID 58881850) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is 1-(4-morpholin-4-ylbutyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea.

Molecular Properties

Compound Name1-(4-morpholin-4-ylbutyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea
PubChem CID58881850
Molecular FormulaC22H26N6O2
Molecular Weight406.49 g/mol
Exact Mass406.21
IUPAC Name1-(4-morpholin-4-ylbutyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea
SMILESO=C(NCCCCN1CCOCC1)Nc1ccc2ncc(-c3ccccc3)nc2n1
InChIInChI=1S/C22H26N6O2/c29-22(23-10-4-5-11-28-12-14-30-15-13-28)27-20-9-8-18-21(26-20)25-19(16-24-18)17-6-2-1-3-7-17/h1-3,6-9,16H,4-5,10-15H2,(H2,23,25,26,27,29)
InChIKeyKVVAPWSFHBIEEJ-UHFFFAOYSA-N
XLogP2.93
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(4-morpholin-4-ylbutyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea?
The IUPAC name of 1-(4-morpholin-4-ylbutyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea (CID 58881850) is 1-(4-morpholin-4-ylbutyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea.
What is the SMILES notation for 1-(4-morpholin-4-ylbutyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea?
The canonical SMILES for 1-(4-morpholin-4-ylbutyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea is O=C(NCCCCN1CCOCC1)Nc1ccc2ncc(-c3ccccc3)nc2n1.
What is the InChIKey of 1-(4-morpholin-4-ylbutyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea?
The InChIKey is KVVAPWSFHBIEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2/c29-22(23-10-4-5-11-28-12-14-30-15-13-28)27-20-9-8-18-21(26-20)25-19(16-24-18)17-6-2-1-3-7-17/h1-3,6-9,16H,4-5,10-15H2,(H2,23,25,26,27,29).
What are the key properties of 1-(4-morpholin-4-ylbutyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea?
1-(4-morpholin-4-ylbutyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea has a molecular weight of 406.49 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-morpholin-4-ylbutyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea is sourced from PubChem (CID 58881850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).