6-(Morpholinomethyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4(7H)-one - CAS 930966-22-6

Catalog:	BB056646
Product Name:	6-(Morpholinomethyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4(7H)-one
CAS:	930966-22-6
Synonyms:	6-(morpholin-4-ylmethyl)-1-phenyl-5H-pyrazolo[3,4-d]pyrimidin-4-one; 6-[(morpholin-4-yl)methyl]-1-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one

Technical Data

IUPAC Name:	6-(morpholin-4-ylmethyl)-1-phenyl-5H-pyrazolo[3,4-d]pyrimidin-4-one
Description:	6-(Morpholinomethyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4(7H)-one is a useful intermediate for organic synthesis.
Molecular Weight:	311.34
Molecular Formula:	C16H17N5O2
Canonical SMILES:	C1COCCN1CC2=NC3=C(C=NN3C4=CC=CC=C4)C(=O)N2
InChI:	InChI=1S/C16H17N5O2/c22-16-13-10-17-21(12-4-2-1-3-5-12)15(13)18-14(19-16)11-20-6-8-23-9-7-20/h1-5,10H,6-9,11H2,(H,18,19,22)
InChI Key:	JWKDVLHKGYKVOD-UHFFFAOYSA-N
References:	Elkhawaga, A. M., et al. B. Korean Chem. Soc., 30, 561 (2009); Bol'but, A. V., et al. Zh. Org. Farm. Khim., 4, 57 ( 2006).

Complexity:	471
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	311.1382248
Formal Charge:	0
Heavy Atom Count:	23
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	311.1382248
Rotatable Bond Count:	3
Topological Polar Surface Area:	71.8Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7