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

C30H34N6O3 — CID 70816327

IUPAC1-[3-[4-(2-morpholin-4-ylethoxy)phenyl]pyrido[2,3-b]pyrazin-6-yl]-3-(4-phenylbutyl)urea
SMILESO=C(NCCCCc1ccccc1)Nc1ccc2ncc(-c3ccc(OCCN4CCOCC4)cc3)nc2n1
InChIInChI=1S/C30H34N6O3/c37-30(31-15-5-4-8-23-6-2-1-3-7-23)35-28-14-13-26-29(34-28)33-27(22-32-26)24-9-11-25(12-10-24)39-21-18-36-16-19-38-20-17-36/h1-3,6-7,9-14,22H,4-5,8,15-21H2,(H2,31,33,34,35,37)
InChIKeyHVTHMKSFASEIDI-UHFFFAOYSA-N
MW526.64 g/mol
LogP4.55
Rot. Bonds11

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

1-[3-[4-(2-morpholin-4-ylethoxy)phenyl]pyrido[2,3-b]pyrazin-6-yl]-3-(4-phenylbutyl)urea (PubChem CID 70816327) has the molecular formula C30H34N6O3 and a molecular weight of 526.64 g/mol. Its IUPAC name is 1-[3-[4-(2-morpholin-4-ylethoxy)phenyl]pyrido[2,3-b]pyrazin-6-yl]-3-(4-phenylbutyl)urea.

Molecular Properties

Compound Name1-[3-[4-(2-morpholin-4-ylethoxy)phenyl]pyrido[2,3-b]pyrazin-6-yl]-3-(4-phenylbutyl)urea
PubChem CID70816327
Molecular FormulaC30H34N6O3
Molecular Weight526.64 g/mol
Exact Mass526.27
IUPAC Name1-[3-[4-(2-morpholin-4-ylethoxy)phenyl]pyrido[2,3-b]pyrazin-6-yl]-3-(4-phenylbutyl)urea
SMILESO=C(NCCCCc1ccccc1)Nc1ccc2ncc(-c3ccc(OCCN4CCOCC4)cc3)nc2n1
InChIInChI=1S/C30H34N6O3/c37-30(31-15-5-4-8-23-6-2-1-3-7-23)35-28-14-13-26-29(34-28)33-27(22-32-26)24-9-11-25(12-10-24)39-21-18-36-16-19-38-20-17-36/h1-3,6-7,9-14,22H,4-5,8,15-21H2,(H2,31,33,34,35,37)
InChIKeyHVTHMKSFASEIDI-UHFFFAOYSA-N
XLogP4.55
TPSA101.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.64
LogP ≤ 54.55
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-[3-[4-(2-morpholin-4-ylethoxy)phenyl]pyrido[2,3-b]pyrazin-6-yl]-3-(4-phenylbutyl)urea?
The IUPAC name of 1-[3-[4-(2-morpholin-4-ylethoxy)phenyl]pyrido[2,3-b]pyrazin-6-yl]-3-(4-phenylbutyl)urea (CID 70816327) is 1-[3-[4-(2-morpholin-4-ylethoxy)phenyl]pyrido[2,3-b]pyrazin-6-yl]-3-(4-phenylbutyl)urea.
What is the SMILES notation for 1-[3-[4-(2-morpholin-4-ylethoxy)phenyl]pyrido[2,3-b]pyrazin-6-yl]-3-(4-phenylbutyl)urea?
The canonical SMILES for 1-[3-[4-(2-morpholin-4-ylethoxy)phenyl]pyrido[2,3-b]pyrazin-6-yl]-3-(4-phenylbutyl)urea is O=C(NCCCCc1ccccc1)Nc1ccc2ncc(-c3ccc(OCCN4CCOCC4)cc3)nc2n1.
What is the InChIKey of 1-[3-[4-(2-morpholin-4-ylethoxy)phenyl]pyrido[2,3-b]pyrazin-6-yl]-3-(4-phenylbutyl)urea?
The InChIKey is HVTHMKSFASEIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N6O3/c37-30(31-15-5-4-8-23-6-2-1-3-7-23)35-28-14-13-26-29(34-28)33-27(22-32-26)24-9-11-25(12-10-24)39-21-18-36-16-19-38-20-17-36/h1-3,6-7,9-14,22H,4-5,8,15-21H2,(H2,31,33,34,35,37).
What are the key properties of 1-[3-[4-(2-morpholin-4-ylethoxy)phenyl]pyrido[2,3-b]pyrazin-6-yl]-3-(4-phenylbutyl)urea?
1-[3-[4-(2-morpholin-4-ylethoxy)phenyl]pyrido[2,3-b]pyrazin-6-yl]-3-(4-phenylbutyl)urea has a molecular weight of 526.64 g/mol, XLogP of 4.55, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(2-morpholin-4-ylethoxy)phenyl]pyrido[2,3-b]pyrazin-6-yl]-3-(4-phenylbutyl)urea is sourced from PubChem (CID 70816327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).