N-(pyridazin-3-yl)-4-[(3-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenyl)methylidene]piperidine-1-carboxamide

N-(pyridazin-3-yl)-4-[(3-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenyl)methylidene]piperidine-1-carboxamide

CAS: 1020315-31-4

Formula: C23H20F3N5O2

SMILES: FC(F)(F)C1=CN=C(OC2=CC=CC(C=C3CCN(CC3)C(=O)NC3=CC=CN=N3)=C2)C=C1

IUPAC: N-(pyridazin-3-yl)-4-[(3-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenyl)methylidene]piperidine-1-carboxamide

InChI: InChI=1S/C23H20F3N5O2/c24-23(25,26)18-6-7-21(27-15-18)33-19-4-1-3-17(14-19)13-16-8-11-31(12-9-16)22(32)29-20-5-2-10-28-30-20/h1-7,10,13-15H,8-9,11-12H2,(H,29,30,32)

Composition: C (60.66%), H (4.43%), F (12.51%), N (15.38%), O (7.03%)

Molar Mass: 455.441

Atom Count: 53

Heavy Atom Count: 33

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	455.156909393
Formal Charge	0
FSP3	0.22
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	BATCTBJIJJEPHM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	120.02
Topological Polar Surface Area	80.24
Polarizability	42.89
Ring Count	4
Rotatable Bond Count	5

Suppliers

Selleck Chemicals

Supplier Profile

Purity	LeadTime	CAS		UnitPrice
98%	<10 Days	1020315-31-4		Quote Only

Key Organics Ltd

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<2 Days	1020315-31-4		$276.40-$1,137.29$276.40$276.40$420.61$1,137.29

Struchem co.,ltd

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<5 Days	1020315-31-4		$1,109.00$1,109.00

Molnova Chemicals

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<4 Days	1020315-31-4		$29.05-$438.77$29.05$36.69$61.92$126.89$188.81$337.10$438.77