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627518-40-5 molecular structure
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N-(3-fluorophenyl)-6,7-dimethoxy-1H,4H-indeno[1,2-c]pyrazol-3-amine

ChemBase ID: 153917
Molecular Formular: C18H16FN3O2
Molecular Mass: 325.3369432
Monoisotopic Mass: 325.12265499
SMILES and InChIs

SMILES:
COc1cc2c(cc1OC)c1c(c(n[nH]1)Nc1cccc(c1)F)C2
Canonical SMILES:
COc1cc2c(cc1OC)Cc1c2[nH]nc1Nc1cccc(c1)F
InChI:
InChI=1S/C18H16FN3O2/c1-23-15-7-10-6-14-17(13(10)9-16(15)24-2)21-22-18(14)20-12-5-3-4-11(19)8-12/h3-5,7-9H,6H2,1-2H3,(H2,20,21,22)
InChIKey:
ZDNURMVOKAERHZ-UHFFFAOYSA-N

Cite this record

CBID:153917 http://www.chembase.cn/molecule-153917.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(3-fluorophenyl)-6,7-dimethoxy-1H,4H-indeno[1,2-c]pyrazol-3-amine
IUPAC Traditional name
N-(3-fluorophenyl)-6,7-dimethoxy-1H,4H-indeno[1,2-c]pyrazol-3-amine
Synonyms
3-Fluoro-N-(6,7-dimethoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl)phenylamine
N-(3-fluorophenyl)-2,4-dihydro-6,7-dimethoxy-Indeno[1,2-c]pyrazol-3-amine
RWJ 540973
JNJ-10198409
CAS Number
627518-40-5
PubChem SID
162248056
PubChem CID
9797370

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
J4649 external link Add to cart Please log in.
Data Source Data ID
PubChem 9797370 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 7.665384  H Acceptors
H Donor LogD (pH = 5.5) 3.820177 
LogD (pH = 7.4) 3.6362522  Log P 3.824947 
Molar Refractivity 90.3808 cm3 Polarizability 34.514263 Å3
Polar Surface Area 59.17 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
DMSO: >10 mg/mL expand Show data source
H2O: <2 mg/mL expand Show data source
Apperance
off-white solid expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Storage Temperature
-20°C expand Show data source
Purity
≥98% (HPLC) expand Show data source
Empirical Formula (Hill Notation)
C18H16FN3O2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - J4649 external link
Biochem/physiol Actions
JNJ-10198409 is a potent ATP-competitive inhibitor of Platelet-Derived Growth Factor receptor tyrosine kinase (PDGF-RTK) with both antiangiogenic and a direct tumor cell antiproliferative activity. It is selective for PDGF-β kinase with IC50 values of 4.2 nM for PDGF-β and 45 nM for PDGF-α kinase.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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