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2-(1-{3-chloro-6-methylpyrazolo[1,5-a]pyrimidine-2-carbonyl}pyrrolidin-2-yl)pyridine

ChemBase ID: 370101
Molecular Formular: C17H16ClN5O
Molecular Mass: 341.79484
Monoisotopic Mass: 341.10433784
SMILES and InChIs

SMILES:
c1(c(c2n(n1)cc(cn2)C)Cl)C(=O)N1C(c2ncccc2)CCC1
Canonical SMILES:
Cc1cnc2n(c1)nc(c2Cl)C(=O)N1CCCC1c1ccccn1
InChI:
InChI=1S/C17H16ClN5O/c1-11-9-20-16-14(18)15(21-23(16)10-11)17(24)22-8-4-6-13(22)12-5-2-3-7-19-12/h2-3,5,7,9-10,13H,4,6,8H2,1H3
InChIKey:
HJLFXQKJYPYYOQ-UHFFFAOYSA-N

Cite this record

CBID:370101 http://www.chembase.cn/molecule-370101.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(1-{3-chloro-6-methylpyrazolo[1,5-a]pyrimidine-2-carbonyl}pyrrolidin-2-yl)pyridine
IUPAC Traditional name
2-(1-{3-chloro-6-methylpyrazolo[1,5-a]pyrimidine-2-carbonyl}pyrrolidin-2-yl)pyridine
Synonyms
3-chloro-6-methyl-2-{[2-(2-pyridinyl)-1-pyrrolidinyl]carbonyl}pyrazolo[1,5-a]pyrimidine

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) 2.646046  LogD (pH = 7.4) 2.660125 
Log P 2.660308  Molar Refractivity 101.3392 cm3
Polarizability 34.294693 Å3 Polar Surface Area 63.39 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 0.26  LOG S -1.92 
Polar Surface Area 63.39 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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