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

ethyl 5-[4-(furan-2-yl)benzoyl]-1-(pyridin-4-ylmethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxylate

ChemBase ID: 340296
Molecular Formular: C26H24N4O4
Molecular Mass: 456.49316
Monoisotopic Mass: 456.17975527
SMILES and InChIs

SMILES:
c12c(nn(c1CCN(C2)C(=O)c1ccc(c2occc2)cc1)Cc1ccncc1)C(=O)OCC
Canonical SMILES:
CCOC(=O)c1nn(c2c1CN(CC2)C(=O)c1ccc(cc1)c1ccco1)Cc1ccncc1
InChI:
InChI=1S/C26H24N4O4/c1-2-33-26(32)24-21-17-29(14-11-22(21)30(28-24)16-18-9-12-27-13-10-18)25(31)20-7-5-19(6-8-20)23-4-3-15-34-23/h3-10,12-13,15H,2,11,14,16-17H2,1H3
InChIKey:
JTIODWSFTQNBAB-UHFFFAOYSA-N

Cite this record

CBID:340296 http://www.chembase.cn/molecule-340296.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 5-[4-(furan-2-yl)benzoyl]-1-(pyridin-4-ylmethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxylate
IUPAC Traditional name
ethyl 5-[4-(furan-2-yl)benzoyl]-1-(pyridin-4-ylmethyl)-4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxylate
Synonyms
ethyl 5-[4-(2-furyl)benzoyl]-1-(4-pyridinylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxylate

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 13852998 external link Add to cart
Data Source Data ID Price
ChemBridge
13852998 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) 2.744916  LogD (pH = 7.4) 2.9124005 
Log P 2.9151676  Molar Refractivity 138.128 cm3
Polarizability 48.899364 Å3 Polar Surface Area 90.46 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.4  LOG S -6.14 
Polar Surface Area 90.46 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