3,7-Dihydro-2-[[3-(4-methyl-1-piperazinyl)phenyl]amino]-4H-pyrrolo[2,3-d]pyrimidin-4-one - CAS 1142947-80-5

Catalog:	BB067712
Product Name:	3,7-Dihydro-2-[[3-(4-methyl-1-piperazinyl)phenyl]amino]-4H-pyrrolo[2,3-d]pyrimidin-4-one
CAS:	1142947-80-5
Synonyms:	2-((3-(4-Methylpiperazin-1-yl)phenyl)amino)-1H-pyrrolo[2,3-d]pyrimidin-4(7H)-one

Technical Data

IUPAC Name:	2-[3-(4-methylpiperazin-1-yl)anilino]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
Description:	3,7-Dihydro-2-[[3-(4-methyl-1-piperazinyl)phenyl]amino]-4H-pyrrolo[2,3-d]pyrimidin-4-one is a reactant used in the preparation of pyrrolopyrimidine compounds as janus kinase inhibitors with potential uses in the treatment of cancer.
Molecular Weight:	324.38
Molecular Formula:	C17H20N6O
Canonical SMILES:	CN1CCN(CC1)C2=CC=CC(=C2)NC3=NC4=C(C=CN4)C(=O)N3
InChI:	InChI=1S/C17H20N6O/c1-22-7-9-23(10-8-22)13-4-2-3-12(11-13)19-17-20-15-14(5-6-18-15)16(24)21-17/h2-6,11H,7-10H2,1H3,(H3,18,19,20,21,24)
InChI Key:	XVNCGMKUADYYKF-UHFFFAOYSA-N
References:	Noronha, G., et. al. PCT Int. Appl. WO 2009049028 A1 20090416 (2009).

Complexity:	501
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	324.16985928
Formal Charge:	0
Heavy Atom Count:	24
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	324.16985928
Rotatable Bond Count:	3
Topological Polar Surface Area:	75.8Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1