6-amino-4-{2-[(4-bromophenyl)methoxy]-3-methoxyphenyl}-3-methyl-2H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile

6-amino-4-{2-[(4-bromophenyl)methoxy]-3-methoxyphenyl}-3-methyl-2H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile

Formula: C22H19BrN4O3

SMILES: COC1=C(OCC2=CC=C(Br)C=C2)C(=CC=C1)C1C2=C(C)NN=C2OC(N)=C1C#N

IUPAC: 6-amino-4-{2-[(4-bromophenyl)methoxy]-3-methoxyphenyl}-3-methyl-2H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile

InChI: InChI=1/C22H19BrN4O3/c1-12-18-19(16(10-24)21(25)30-22(18)27-26-12)15-4-3-5-17(28-2)20(15)29-11-13-6-8-14(23)9-7-13/h3-9,19H,11,25H2,1-2H3,(H,26,27)

Composition: C (56.54%), H (4.10%), Br (17.10%), N (11.99%), O (10.27%)

Molar Mass: 467.323

Atom Count: 49

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	466.064053
Formal Charge	0
FSP3	0.18
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
InChIKey	NCTVPXVCWWGHJA-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	127.4
Topological Polar Surface Area	106.18
Polarizability	43.95
Ring Count	4
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H19BrN4O3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00