Home > Compound List > Compound details
 molecular structure
click picture or here to close

1-{1-ethyl-5-[(4-methoxyphenyl)methyl]-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carbonyl}pyrrolidine

ChemBase ID: 420245
Molecular Formular: C21H28N4O2
Molecular Mass: 368.47262
Monoisotopic Mass: 368.22122616
SMILES and InChIs

SMILES:
c1(c2c(n(n1)CC)CCN(C2)Cc1ccc(cc1)OC)C(=O)N1CCCC1
Canonical SMILES:
COc1ccc(cc1)CN1CCc2c(C1)c(nn2CC)C(=O)N1CCCC1
InChI:
InChI=1S/C21H28N4O2/c1-3-25-19-10-13-23(14-16-6-8-17(27-2)9-7-16)15-18(19)20(22-25)21(26)24-11-4-5-12-24/h6-9H,3-5,10-15H2,1-2H3
InChIKey:
LVGJMFZXQGOKKB-UHFFFAOYSA-N

Cite this record

CBID:420245 http://www.chembase.cn/molecule-420245.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-{1-ethyl-5-[(4-methoxyphenyl)methyl]-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carbonyl}pyrrolidine
IUPAC Traditional name
1-{1-ethyl-5-[(4-methoxyphenyl)methyl]-4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carbonyl}pyrrolidine
Synonyms
1-ethyl-5-(4-methoxybenzyl)-3-(1-pyrrolidinylcarbonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 25944324 external link Add to cart
Data Source Data ID Price
ChemBridge
25944324 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) 0.70312595  LogD (pH = 7.4) 1.974941 
Log P 2.0869408  Molar Refractivity 118.6668 cm3
Polarizability 40.408455 Å3 Polar Surface Area 50.6 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.98  LOG S -3.24 
Polar Surface Area 50.6 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

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