1-methanesulfonyl-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-2-carbonyl]piperazine

1-methanesulfonyl-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-2-carbonyl]piperazine

CAS: 2060751-63-3

Formula: C14H15F3N4O3S

SMILES: CS(=O)(=O)N1CCN(CC1)C(=O)C1=CC2=CC(=CN=C2N1)C(F)(F)F

IUPAC: 1-methanesulfonyl-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-2-carbonyl]piperazine

InChI: InChI=1S/C14H15F3N4O3S/c1-25(23,24)21-4-2-20(3-5-21)13(22)11-7-9-6-10(14(15,16)17)8-18-12(9)19-11/h6-8H,2-5H2,1H3,(H,18,19)

Composition: C (44.68%), H (4.02%), F (15.14%), N (14.89%), O (12.75%), S (8.52%)

Molar Mass: 376.35

Atom Count: 40

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	376.081696022
Formal Charge	0
FSP3	0.43
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	BTZPENWWHRFZLL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	83.59
Topological Polar Surface Area	86.37
Polarizability	31.95
Ring Count	3
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
90%	<2 Days	2060751-63-3		$51.35-$86.31$51.35$63.37$86.31