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1-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-5-[2-(thiophen-3-yl)acetyl]-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide

ChemBase ID: 320020
Molecular Formular: C23H27N5O2S
Molecular Mass: 437.55778
Monoisotopic Mass: 437.18854613
SMILES and InChIs

SMILES:
c12c(nn(c1CCN(C2)C(=O)Cc1cscc1)CC(C)C)C(=O)NCc1cnccc1
Canonical SMILES:
CC(Cn1nc(c2c1CCN(C2)C(=O)Cc1cscc1)C(=O)NCc1cccnc1)C
InChI:
InChI=1S/C23H27N5O2S/c1-16(2)13-28-20-5-8-27(21(29)10-17-6-9-31-15-17)14-19(20)22(26-28)23(30)25-12-18-4-3-7-24-11-18/h3-4,6-7,9,11,15-16H,5,8,10,12-14H2,1-2H3,(H,25,30)
InChIKey:
MTCXKMWHAWBGOG-UHFFFAOYSA-N

Cite this record

CBID:320020 http://www.chembase.cn/molecule-320020.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-5-[2-(thiophen-3-yl)acetyl]-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
IUPAC Traditional name
1-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-5-[2-(thiophen-3-yl)acetyl]-4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
Synonyms
1-isobutyl-N-(3-pyridinylmethyl)-5-(3-thienylacetyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 10949781 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 13.903199  H Acceptors
H Donor LogD (pH = 5.5) 2.0541093 
LogD (pH = 7.4) 2.1256237  Log P 2.1266375 
Molar Refractivity 132.7035 cm3 Polarizability 45.746162 Å3
Polar Surface Area 80.12 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.35  LOG S -5.6 
Polar Surface Area 80.12 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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