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

C27H29N5O4 — CID 66556954

IUPAC1-(4-phenylbutyl)-3-[3-(2,3,4-trimethoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea
SMILESCOc1ccc(-c2cnc3ccc(NC(=O)NCCCCc4ccccc4)nc3n2)c(OC)c1OC
InChIInChI=1S/C27H29N5O4/c1-34-22-14-12-19(24(35-2)25(22)36-3)21-17-29-20-13-15-23(31-26(20)30-21)32-27(33)28-16-8-7-11-18-9-5-4-6-10-18/h4-6,9-10,12-15,17H,7-8,11,16H2,1-3H3,(H2,28,30,31,32,33)
InChIKeyFQYZTDKNDREMPV-UHFFFAOYSA-N
MW487.56 g/mol
LogP4.86
Rot. Bonds10

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

1-(4-phenylbutyl)-3-[3-(2,3,4-trimethoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea (PubChem CID 66556954) has the molecular formula C27H29N5O4 and a molecular weight of 487.56 g/mol. Its IUPAC name is 1-(4-phenylbutyl)-3-[3-(2,3,4-trimethoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea.

Molecular Properties

Compound Name1-(4-phenylbutyl)-3-[3-(2,3,4-trimethoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea
PubChem CID66556954
Molecular FormulaC27H29N5O4
Molecular Weight487.56 g/mol
Exact Mass487.22
IUPAC Name1-(4-phenylbutyl)-3-[3-(2,3,4-trimethoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea
SMILESCOc1ccc(-c2cnc3ccc(NC(=O)NCCCCc4ccccc4)nc3n2)c(OC)c1OC
InChIInChI=1S/C27H29N5O4/c1-34-22-14-12-19(24(35-2)25(22)36-3)21-17-29-20-13-15-23(31-26(20)30-21)32-27(33)28-16-8-7-11-18-9-5-4-6-10-18/h4-6,9-10,12-15,17H,7-8,11,16H2,1-3H3,(H2,28,30,31,32,33)
InChIKeyFQYZTDKNDREMPV-UHFFFAOYSA-N
XLogP4.86
TPSA107.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.56
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-(4-phenylbutyl)-3-[3-(2,3,4-trimethoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-phenylbutyl)-3-[3-(1H-pyrazol-5-yl)pyrido[2,3-b]pyrazin-6-yl]urea
CID 66558948
1-[3-(6-aminocyclohexa-1,5-dien-1-yl)pyrido[2,3-b]pyrazin-6-yl]-3-(4-phenylbutyl)urea
CID 118328024
1-[3-(3-cyanophenyl)pyrido[2,3-b]pyrazin-6-yl]-3-(4-phenylbutyl)urea
CID 66558012
N-[4-[(3-phenylpyrido[2,3-b]pyrazin-6-yl)carbamoylamino]butyl]acetamide
CID 58881889
1-[3-(3,4-dimethoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-[(2R)-5-phenylpentan-2-yl]urea
CID 66558871
1-[3-(2-methoxy-3-pyridinyl)pyrido[2,3-b]pyrazin-6-yl]-3-(5-phenylpentan-2-yl)urea
CID 70836165
1-[3-(3-hydroxy-4-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-[(2R)-5-phenylpentan-2-yl]urea
CID 66558186
1-[3-[3-(4,4-difluorobutyl)-5-methylcyclohexa-1,5-dien-1-yl]pyrido[2,3-b]pyrazin-6-yl]-3-(4-phenylbutyl)urea
CID 162558690
1-ethyl-3-[3-(5-fluoro-2-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea
CID 25150944
4-[(3-phenylpyrido[2,3-b]pyrazin-6-yl)carbamoylamino]butylphosphonic acid
CID 16727365
1-[3-(2,6-dimethoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea
CID 58881943
1-(2,6-dimethoxyphenyl)-3-(4-phenylbutyl)urea
CID 108868115

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylbutyl)-3-[3-(2,3,4-trimethoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea?
The IUPAC name of 1-(4-phenylbutyl)-3-[3-(2,3,4-trimethoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea (CID 66556954) is 1-(4-phenylbutyl)-3-[3-(2,3,4-trimethoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea.
What is the SMILES notation for 1-(4-phenylbutyl)-3-[3-(2,3,4-trimethoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea?
The canonical SMILES for 1-(4-phenylbutyl)-3-[3-(2,3,4-trimethoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea is COc1ccc(-c2cnc3ccc(NC(=O)NCCCCc4ccccc4)nc3n2)c(OC)c1OC.
What is the InChIKey of 1-(4-phenylbutyl)-3-[3-(2,3,4-trimethoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea?
The InChIKey is FQYZTDKNDREMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O4/c1-34-22-14-12-19(24(35-2)25(22)36-3)21-17-29-20-13-15-23(31-26(20)30-21)32-27(33)28-16-8-7-11-18-9-5-4-6-10-18/h4-6,9-10,12-15,17H,7-8,11,16H2,1-3H3,(H2,28,30,31,32,33).
What are the key properties of 1-(4-phenylbutyl)-3-[3-(2,3,4-trimethoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea?
1-(4-phenylbutyl)-3-[3-(2,3,4-trimethoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea has a molecular weight of 487.56 g/mol, XLogP of 4.86, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylbutyl)-3-[3-(2,3,4-trimethoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea is sourced from PubChem (CID 66556954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).