1-[3-(6-aminocyclohexa-1,5-dien-1-yl)pyrido[2,3-b]pyrazin-6-yl]-3-(4-phenylbutyl)urea

C24H26N6O — CID 118328024

IUPAC1-[3-(6-aminocyclohexa-1,5-dien-1-yl)pyrido[2,3-b]pyrazin-6-yl]-3-(4-phenylbutyl)urea
SMILESNC1=CCCC=C1c1cnc2ccc(NC(=O)NCCCCc3ccccc3)nc2n1
InChIInChI=1S/C24H26N6O/c25-19-12-5-4-11-18(19)21-16-27-20-13-14-22(29-23(20)28-21)30-24(31)26-15-7-6-10-17-8-2-1-3-9-17/h1-3,8-9,11-14,16H,4-7,10,15,25H2,(H2,26,28,29,30,31)
InChIKeyOSOGYEAMQGKQOS-UHFFFAOYSA-N
MW414.51 g/mol
LogP4.19
Rot. Bonds7

About 1-[3-(6-aminocyclohexa-1,5-dien-1-yl)pyrido[2,3-b]pyrazin-6-yl]-3-(4-phenylbutyl)urea

1-[3-(6-aminocyclohexa-1,5-dien-1-yl)pyrido[2,3-b]pyrazin-6-yl]-3-(4-phenylbutyl)urea (PubChem CID 118328024) has the molecular formula C24H26N6O and a molecular weight of 414.51 g/mol. Its IUPAC name is 1-[3-(6-aminocyclohexa-1,5-dien-1-yl)pyrido[2,3-b]pyrazin-6-yl]-3-(4-phenylbutyl)urea.

Molecular Properties

Compound Name1-[3-(6-aminocyclohexa-1,5-dien-1-yl)pyrido[2,3-b]pyrazin-6-yl]-3-(4-phenylbutyl)urea
PubChem CID118328024
Molecular FormulaC24H26N6O
Molecular Weight414.51 g/mol
Exact Mass414.22
IUPAC Name1-[3-(6-aminocyclohexa-1,5-dien-1-yl)pyrido[2,3-b]pyrazin-6-yl]-3-(4-phenylbutyl)urea
SMILESNC1=CCCC=C1c1cnc2ccc(NC(=O)NCCCCc3ccccc3)nc2n1
InChIInChI=1S/C24H26N6O/c25-19-12-5-4-11-18(19)21-16-27-20-13-14-22(29-23(20)28-21)30-24(31)26-15-7-6-10-17-8-2-1-3-9-17/h1-3,8-9,11-14,16H,4-7,10,15,25H2,(H2,26,28,29,30,31)
InChIKeyOSOGYEAMQGKQOS-UHFFFAOYSA-N
XLogP4.19
TPSA105.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[3-(6-aminocyclohexa-1,5-dien-1-yl)pyrido[2,3-b]pyrazin-6-yl]-3-(4-phenylbutyl)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-(3-cyanophenyl)pyrido[2,3-b]pyrazin-6-yl]-3-(4-phenylbutyl)urea
CID 66558012
1-(4-phenylbutyl)-3-[3-(2,3,4-trimethoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea
CID 66556954
N-[4-[(3-phenylpyrido[2,3-b]pyrazin-6-yl)carbamoylamino]butyl]acetamide
CID 58881889
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
4-[(3-phenylpyrido[2,3-b]pyrazin-6-yl)carbamoylamino]butylphosphonic acid
CID 16727365
1-(4-morpholin-4-ylbutyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea
CID 58881850
1-(3-phenylpropyl)-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea
CID 90164299
1-[3-(3,4-dimethoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-[(2R)-5-phenylpentan-2-yl]urea
CID 66558871
1-[3-(4-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-[4-(5-methylcyclohexa-1,3-dien-1-yl)butyl]urea
CID 163875665
1-(7-bromo-1,5-naphthyridin-2-yl)-3-(2-phenylethyl)urea
CID 58310510
1-ethyl-3-(3-quinolin-3-ylpyrido[2,3-b]pyrazin-6-yl)urea
CID 16730528

Frequently Asked Questions

What is the IUPAC name of 1-[3-(6-aminocyclohexa-1,5-dien-1-yl)pyrido[2,3-b]pyrazin-6-yl]-3-(4-phenylbutyl)urea?
The IUPAC name of 1-[3-(6-aminocyclohexa-1,5-dien-1-yl)pyrido[2,3-b]pyrazin-6-yl]-3-(4-phenylbutyl)urea (CID 118328024) is 1-[3-(6-aminocyclohexa-1,5-dien-1-yl)pyrido[2,3-b]pyrazin-6-yl]-3-(4-phenylbutyl)urea.
What is the SMILES notation for 1-[3-(6-aminocyclohexa-1,5-dien-1-yl)pyrido[2,3-b]pyrazin-6-yl]-3-(4-phenylbutyl)urea?
The canonical SMILES for 1-[3-(6-aminocyclohexa-1,5-dien-1-yl)pyrido[2,3-b]pyrazin-6-yl]-3-(4-phenylbutyl)urea is NC1=CCCC=C1c1cnc2ccc(NC(=O)NCCCCc3ccccc3)nc2n1.
What is the InChIKey of 1-[3-(6-aminocyclohexa-1,5-dien-1-yl)pyrido[2,3-b]pyrazin-6-yl]-3-(4-phenylbutyl)urea?
The InChIKey is OSOGYEAMQGKQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O/c25-19-12-5-4-11-18(19)21-16-27-20-13-14-22(29-23(20)28-21)30-24(31)26-15-7-6-10-17-8-2-1-3-9-17/h1-3,8-9,11-14,16H,4-7,10,15,25H2,(H2,26,28,29,30,31).
What are the key properties of 1-[3-(6-aminocyclohexa-1,5-dien-1-yl)pyrido[2,3-b]pyrazin-6-yl]-3-(4-phenylbutyl)urea?
1-[3-(6-aminocyclohexa-1,5-dien-1-yl)pyrido[2,3-b]pyrazin-6-yl]-3-(4-phenylbutyl)urea has a molecular weight of 414.51 g/mol, XLogP of 4.19, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(6-aminocyclohexa-1,5-dien-1-yl)pyrido[2,3-b]pyrazin-6-yl]-3-(4-phenylbutyl)urea is sourced from PubChem (CID 118328024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).