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

3-(diphenylmethyl)-5-(oxolan-2-ylmethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine

ChemBase ID: 320902
Molecular Formular: C24H27N3O
Molecular Mass: 373.49068
Monoisotopic Mass: 373.2154125
SMILES and InChIs

SMILES:
c12c(n[nH]c1CCN(C2)CC1OCCC1)C(c1ccccc1)c1ccccc1
Canonical SMILES:
C1COC(C1)CN1CCc2c(C1)c(n[nH]2)C(c1ccccc1)c1ccccc1
InChI:
InChI=1S/C24H27N3O/c1-3-8-18(9-4-1)23(19-10-5-2-6-11-19)24-21-17-27(14-13-22(21)25-26-24)16-20-12-7-15-28-20/h1-6,8-11,20,23H,7,12-17H2,(H,25,26)
InChIKey:
NHOLWZVCNVOTIM-UHFFFAOYSA-N

Cite this record

CBID:320902 http://www.chembase.cn/molecule-320902.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(diphenylmethyl)-5-(oxolan-2-ylmethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine
IUPAC Traditional name
3-(diphenylmethyl)-5-(oxolan-2-ylmethyl)-1H,4H,6H,7H-pyrazolo[4,3-c]pyridine
Synonyms
3-(diphenylmethyl)-5-(tetrahydrofuran-2-ylmethyl)-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 11070407 external link Add to cart
Data Source Data ID Price
ChemBridge
11070407 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 14.381203  H Acceptors
H Donor LogD (pH = 5.5) 1.8168335 
LogD (pH = 7.4) 3.5259917  Log P 4.011104 
Molar Refractivity 113.8232 cm3 Polarizability 43.515446 Å3
Polar Surface Area 41.15 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.8  LOG S -4.16 
Polar Surface Area 41.15 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