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

7-(2-methyl-1,3-thiazole-4-carbonyl)-2-(pyridin-4-yl)-3H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-one

ChemBase ID: 341038
Molecular Formular: C17H15N5O2S
Molecular Mass: 353.3983
Monoisotopic Mass: 353.09464575
SMILES and InChIs

SMILES:
c1(nc(sc1)C)C(=O)N1Cc2c(c(=O)[nH]c(n2)c2ccncc2)CC1
Canonical SMILES:
Cc1scc(n1)C(=O)N1CCc2c(C1)nc([nH]c2=O)c1ccncc1
InChI:
InChI=1S/C17H15N5O2S/c1-10-19-14(9-25-10)17(24)22-7-4-12-13(8-22)20-15(21-16(12)23)11-2-5-18-6-3-11/h2-3,5-6,9H,4,7-8H2,1H3,(H,20,21,23)
InChIKey:
DDBOOUFXTNHOQF-UHFFFAOYSA-N

Cite this record

CBID:341038 http://www.chembase.cn/molecule-341038.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
7-(2-methyl-1,3-thiazole-4-carbonyl)-2-(pyridin-4-yl)-3H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-one
IUPAC Traditional name
7-(2-methyl-1,3-thiazole-4-carbonyl)-2-(pyridin-4-yl)-3H,5H,6H,8H-pyrido[3,4-d]pyrimidin-4-one
Synonyms
7-[(2-methyl-1,3-thiazol-4-yl)carbonyl]-2-(4-pyridinyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(3H)-one

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 13964150 external link Add to cart
Data Source Data ID Price
ChemBridge
13964150 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 8.994253  H Acceptors
H Donor LogD (pH = 5.5) 0.1571918 
LogD (pH = 7.4) 0.15240334  Log P 0.16212155 
Molar Refractivity 93.7972 cm3 Polarizability 34.597992 Å3
Polar Surface Area 87.55 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P -0.22  LOG S -2.9 
Polar Surface Area 91.84 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