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Home Halogens 4-(2,6-Dichlorobenzamido)-n-(piperidin-4-yl)-1h-pyrazole-3-carboxamide hydrochloride

4-(2,6-Dichlorobenzamido)-n-(piperidin-4-yl)-1h-pyrazole-3-carboxamide hydrochloride

CAS No.:
902135-91-5
Catalog Number:
AG00GRUQ
Molecular Formula:
C16H18Cl3N5O2
Molecular Weight:
418.7054
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$91
- +
5mg
99%
1 week
United States
$140
- +
10mg
99%
1 week
United States
$182
- +
50mg
99%
1 week
United States
$321
- +
100mg
99%
1 week
United States
$404
- +
Product Description
Catalog Number:
AG00GRUQ
Chemical Name:
4-(2,6-Dichlorobenzamido)-n-(piperidin-4-yl)-1h-pyrazole-3-carboxamide hydrochloride
CAS Number:
902135-91-5
Molecular Formula:
C16H18Cl3N5O2
Molecular Weight:
418.7054
MDL Number:
MFCD13184820
IUPAC Name:
4-[(2,6-dichlorobenzoyl)amino]-N-piperidin-4-yl-1H-pyrazole-5-carboxamide;hydrochloride
InChI:
InChI=1S/C16H17Cl2N5O2.ClH/c17-10-2-1-3-11(18)13(10)15(24)22-12-8-20-23-14(12)16(25)21-9-4-6-19-7-5-9;/h1-3,8-9,19H,4-7H2,(H,20,23)(H,21,25)(H,22,24);1H
InChI Key:
PAOFPNGYBWGKCO-UHFFFAOYSA-N
SMILES:
O=C(c1n[nH]cc1NC(=O)c1c(Cl)cccc1Cl)NC1CCNCC1.Cl
Properties
Complexity:
479  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
417.053g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
5  
Isotope Atom Count:
0
Molecular Weight:
418.703g/mol
Monoisotopic Mass:
417.053g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
98.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
Title Journal
Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H-pyrazole-3-carboxamide (AT7519), a novel cyclin dependent kinase inhibitor using fragment-based X-ray crystallography and structure based drug design. Journal of medicinal chemistry 20080828
Properties