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N-[1-(pyridin-2-yl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-2-(pyrrolidin-1-yl)benzamide

ChemBase ID: 340788
Molecular Formular: C23H25N5O
Molecular Mass: 387.4775
Monoisotopic Mass: 387.20591045
SMILES and InChIs

SMILES:
c12c(n(nc1)c1ncccc1)CCCC2NC(=O)c1c(N2CCCC2)cccc1
Canonical SMILES:
O=C(c1ccccc1N1CCCC1)NC1CCCc2c1cnn2c1ccccn1
InChI:
InChI=1S/C23H25N5O/c29-23(17-8-1-2-10-20(17)27-14-5-6-15-27)26-19-9-7-11-21-18(19)16-25-28(21)22-12-3-4-13-24-22/h1-4,8,10,12-13,16,19H,5-7,9,11,14-15H2,(H,26,29)
InChIKey:
GUAYXJYEJCGUSF-UHFFFAOYSA-N

Cite this record

CBID:340788 http://www.chembase.cn/molecule-340788.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[1-(pyridin-2-yl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-2-(pyrrolidin-1-yl)benzamide
IUPAC Traditional name
N-[1-(pyridin-2-yl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(pyrrolidin-1-yl)benzamide
Synonyms
N-[1-(2-pyridinyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-2-(1-pyrrolidinyl)benzamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 13928733 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 15.279685  H Acceptors
H Donor LogD (pH = 5.5) 3.5007513 
LogD (pH = 7.4) 3.501359  Log P 3.5013669 
Molar Refractivity 115.3469 cm3 Polarizability 42.595562 Å3
Polar Surface Area 63.05 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.94  LOG S -6.58 
Polar Surface Area 63.05 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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