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5-{5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl}-N-methyl-4H,5H,6H,7H-thieno[3,2-c]pyridine-2-carboxamide

ChemBase ID: 420286
Molecular Formular: C18H19N5O2S
Molecular Mass: 369.44076
Monoisotopic Mass: 369.12594587
SMILES and InChIs

SMILES:
c12c(C(=O)N3Cc4c(sc(c4)C(=O)NC)CC3)cnn1c(cc(n2)C)C
Canonical SMILES:
CNC(=O)c1cc2c(s1)CCN(C2)C(=O)c1cnn2c1nc(C)cc2C
InChI:
InChI=1S/C18H19N5O2S/c1-10-6-11(2)23-16(21-10)13(8-20-23)18(25)22-5-4-14-12(9-22)7-15(26-14)17(24)19-3/h6-8H,4-5,9H2,1-3H3,(H,19,24)
InChIKey:
PVDQDVWQNAJMOI-UHFFFAOYSA-N

Cite this record

CBID:420286 http://www.chembase.cn/molecule-420286.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-{5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl}-N-methyl-4H,5H,6H,7H-thieno[3,2-c]pyridine-2-carboxamide
IUPAC Traditional name
5-{5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl}-N-methyl-4H,6H,7H-thieno[3,2-c]pyridine-2-carboxamide
Synonyms
5-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)carbonyl]-N-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 25950249 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 13.7845335  H Acceptors
H Donor LogD (pH = 5.5) 1.1658906 
LogD (pH = 7.4) 1.1658951  Log P 1.1658953 
Molar Refractivity 111.0683 cm3 Polarizability 36.56303 Å3
Polar Surface Area 79.6 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P -0.94  LOG S -2.4 
Polar Surface Area 79.6 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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