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

4-(1-methyl-1H-imidazol-5-yl)-N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine

ChemBase ID: 470416
Molecular Formular: C17H16N6
Molecular Mass: 304.34914
Monoisotopic Mass: 304.14364454
SMILES and InChIs

SMILES:
c1(c2n(cnc2)C)c2c(nc(c1)NCc1cnccc1)[nH]cc2
Canonical SMILES:
Cn1cncc1c1cc(NCc2cccnc2)nc2c1cc[nH]2
InChI:
InChI=1S/C17H16N6/c1-23-11-19-10-15(23)14-7-16(22-17-13(14)4-6-20-17)21-9-12-3-2-5-18-8-12/h2-8,10-11H,9H2,1H3,(H2,20,21,22)
InChIKey:
LSSZFJZUQDOICT-UHFFFAOYSA-N

Cite this record

CBID:470416 http://www.chembase.cn/molecule-470416.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(1-methyl-1H-imidazol-5-yl)-N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
IUPAC Traditional name
4-(3-methylimidazol-4-yl)-N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
Synonyms
4-(1-methyl-1H-imidazol-5-yl)-N-(3-pyridinylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 33950379 external link Add to cart
Data Source Data ID Price
ChemBridge
33950379 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 14.873045  H Acceptors
H Donor LogD (pH = 5.5) 0.7294016 
LogD (pH = 7.4) 1.4317697  Log P 1.4682664 
Molar Refractivity 90.7684 cm3 Polarizability 35.19417 Å3
Polar Surface Area 71.42 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.76  LOG S -1.62 
Polar Surface Area 71.42 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