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N-{[2-(pyrazin-2-yl)-1,3-thiazol-4-yl]methyl}pyrazolo[1,5-a]pyridine-7-carboxamide

ChemBase ID: 865562
Molecular Formular: C16H12N6OS
Molecular Mass: 336.37108
Monoisotopic Mass: 336.07933003
SMILES and InChIs

SMILES:
n12c(C(=O)NCc3nc(sc3)c3nccnc3)cccc1ccn2
Canonical SMILES:
O=C(c1cccc2n1ncc2)NCc1csc(n1)c1cnccn1
InChI:
InChI=1S/C16H12N6OS/c23-15(14-3-1-2-12-4-5-20-22(12)14)19-8-11-10-24-16(21-11)13-9-17-6-7-18-13/h1-7,9-10H,8H2,(H,19,23)
InChIKey:
IRMVGTWHAZFAAL-UHFFFAOYSA-N

Cite this record

CBID:865562 http://www.chembase.cn/molecule-865562.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-{[2-(pyrazin-2-yl)-1,3-thiazol-4-yl]methyl}pyrazolo[1,5-a]pyridine-7-carboxamide
IUPAC Traditional name
N-{[2-(pyrazin-2-yl)-1,3-thiazol-4-yl]methyl}pyrazolo[1,5-a]pyridine-7-carboxamide
Synonyms
N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyrazolo[1,5-a]pyridine-7-carboxamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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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 14.448205  H Acceptors
H Donor LogD (pH = 5.5) 0.93745834 
LogD (pH = 7.4) 0.93751323  Log P 0.937514 
Molar Refractivity 109.5451 cm3 Polarizability 34.514652 Å3
Polar Surface Area 85.07 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.76  LOG S -3.16 
Polar Surface Area 85.07 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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