Home > Compound List > Compound details
7273-34-9 molecular structure
click picture or here to close

2-(3-{2-[(2S)-butan-2-yl]-6-(1H-indol-3-yl)-3-oxo-3H,7H-imidazo[1,2-a]pyrazin-8-yl}propyl)guanidine

ChemBase ID: 130126
Molecular Formular: C22H27N7O
Molecular Mass: 405.49608
Monoisotopic Mass: 405.22770852
SMILES and InChIs

SMILES:
O=c1n2cc(c3c4ccccc4[nH]c3)[nH]c(c2nc1[C@@H](C)CC)CCCN=C(N)N
Canonical SMILES:
CC[C@@H](c1nc2n(c1=O)cc([nH]c2CCCN=C(N)N)c1c[nH]c2c1cccc2)C
InChI:
InChI=1S/C22H27N7O/c1-3-13(2)19-21(30)29-12-18(15-11-26-16-8-5-4-7-14(15)16)27-17(20(29)28-19)9-6-10-25-22(23)24/h4-5,7-8,11-13,26-27H,3,6,9-10H2,1-2H3,(H4,23,24,25)/t13-/m0/s1
InChIKey:
ZWPWSXGBDMGKKS-ZDUSSCGKSA-N

Cite this record

CBID:130126 http://www.chembase.cn/molecule-130126.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(3-{2-[(2S)-butan-2-yl]-6-(1H-indol-3-yl)-3-oxo-3H,7H-imidazo[1,2-a]pyrazin-8-yl}propyl)guanidine
IUPAC Traditional name
vargulin
Synonyms
Vargulin
Cypridina luciferin
cypridinluciferin
Vargulin
CAS Number
7273-34-9
PubChem SID
162224411
PubChem CID
439820
2762720
Chemspider ID
388868
Wikipedia Title
Vargulin

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.939025  H Acceptors
H Donor LogD (pH = 5.5) -0.07739613 
LogD (pH = 7.4) -0.06311587  Log P 1.682645 
Molar Refractivity 128.611 cm3 Polarizability 45.515602 Å3
Polar Surface Area 124.89 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

Wikipedia Wikipedia

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle