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N-cyclopentyl-1-[(4-methoxyphenyl)methyl]-5-(pyridin-2-ylmethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide

ChemBase ID: 340424
Molecular Formular: C26H31N5O2
Molecular Mass: 445.55664
Monoisotopic Mass: 445.24777526
SMILES and InChIs

SMILES:
c12c(nn(c1CCN(C2)Cc1ncccc1)Cc1ccc(cc1)OC)C(=O)NC1CCCC1
Canonical SMILES:
COc1ccc(cc1)Cn1nc(c2c1CCN(C2)Cc1ccccn1)C(=O)NC1CCCC1
InChI:
InChI=1S/C26H31N5O2/c1-33-22-11-9-19(10-12-22)16-31-24-13-15-30(17-21-8-4-5-14-27-21)18-23(24)25(29-31)26(32)28-20-6-2-3-7-20/h4-5,8-12,14,20H,2-3,6-7,13,15-18H2,1H3,(H,28,32)
InChIKey:
DVBLHTQBTKFCQS-UHFFFAOYSA-N

Cite this record

CBID:340424 http://www.chembase.cn/molecule-340424.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-cyclopentyl-1-[(4-methoxyphenyl)methyl]-5-(pyridin-2-ylmethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
IUPAC Traditional name
N-cyclopentyl-1-[(4-methoxyphenyl)methyl]-5-(pyridin-2-ylmethyl)-4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
Synonyms
N-cyclopentyl-1-(4-methoxybenzyl)-5-(2-pyridinylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 13873179 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 14.213348  H Acceptors
H Donor LogD (pH = 5.5) 2.4978108 
LogD (pH = 7.4) 3.0300736  Log P 3.0436337 
Molar Refractivity 139.8272 cm3 Polarizability 49.10161 Å3
Polar Surface Area 72.28 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.86  LOG S -5.57 
Polar Surface Area 72.28 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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