ethyl 4-{[6-(4-benzylpiperidin-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]amino}benzoate

ethyl 4-{[6-(4-benzylpiperidin-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]amino}benzoate

Formula: C25H26N6O3

SMILES: CCOC(=O)C1=CC=C(NC2=NC3=NON=C3N=C2N2CCC(CC3=CC=CC=C3)CC2)C=C1

IUPAC: ethyl 4-{[6-(4-benzylpiperidin-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]amino}benzoate

InChI: InChI=1S/C25H26N6O3/c1-2-33-25(32)19-8-10-20(11-9-19)26-23-24(28-22-21(27-23)29-34-30-22)31-14-12-18(13-15-31)16-17-6-4-3-5-7-17/h3-11,18H,2,12-16H2,1H3,(H,26,27,29)

Composition: C (65.49%), H (5.72%), N (18.33%), O (10.47%)

Molar Mass: 458.522

Atom Count: 60

Heavy Atom Count: 34

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	458.206638721
Formal Charge	0
FSP3	0.32
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
InChIKey	RBHIBOYCONEPEY-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	132.67
Topological Polar Surface Area	106.27
Polarizability	47.85
Ring Count	5
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C25H26N6O3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00