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1-(cyclopropylmethyl)-5-(2,4-difluorobenzoyl)-N-(1,3-thiazol-2-ylmethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide

ChemBase ID: 341588
Molecular Formular: C22H21F2N5O2S
Molecular Mass: 457.4962464
Monoisotopic Mass: 457.13840238
SMILES and InChIs

SMILES:
c12c(nn(c1CCN(C(=O)c1c(cc(cc1)F)F)C2)CC1CC1)C(=O)NCc1nccs1
Canonical SMILES:
Fc1ccc(c(c1)F)C(=O)N1CCc2c(C1)c(nn2CC1CC1)C(=O)NCc1nccs1
InChI:
InChI=1S/C22H21F2N5O2S/c23-14-3-4-15(17(24)9-14)22(31)28-7-5-18-16(12-28)20(27-29(18)11-13-1-2-13)21(30)26-10-19-25-6-8-32-19/h3-4,6,8-9,13H,1-2,5,7,10-12H2,(H,26,30)
InChIKey:
IDZUMAWODQTPKC-UHFFFAOYSA-N

Cite this record

CBID:341588 http://www.chembase.cn/molecule-341588.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(cyclopropylmethyl)-5-(2,4-difluorobenzoyl)-N-(1,3-thiazol-2-ylmethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
IUPAC Traditional name
1-(cyclopropylmethyl)-5-(2,4-difluorobenzoyl)-N-(1,3-thiazol-2-ylmethyl)-4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
Synonyms
1-(cyclopropylmethyl)-5-(2,4-difluorobenzoyl)-N-(1,3-thiazol-2-ylmethyl)-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 14040271 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 13.700171  H Acceptors
H Donor LogD (pH = 5.5) 2.1371431 
LogD (pH = 7.4) 2.1373372  Log P 2.1373398 
Molar Refractivity 126.8692 cm3 Polarizability 42.503517 Å3
Polar Surface Area 80.12 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.15  LOG S -6.76 
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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