5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-[2-(pyrrolidin-1-yl)ethyl]-1H-pyrrole-3-carboxamide; phosphoric acid

5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-[2-(pyrrolidin-1-yl)ethyl]-1H-pyrrole-3-carboxamide; phosphoric acid

CAS: 874819-74-6

Formula: C22H28FN4O6P

SMILES: OP(O)(O)=O.CC1=C(C(=O)NCCN2CCCC2)C(C)=C(N1)C=C1C(=O)NC2=C1C=C(F)C=C2

IUPAC: 5-[(5-fluoro-2-oxo-2,3-dihydro-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-[2-(pyrrolidin-1-yl)ethyl]-1H-pyrrole-3-carboxamide; phosphoric acid

InChI: InChI=1S/C22H25FN4O2.H3O4P/c1-13-19(12-17-16-11-15(23)5-6-18(16)26-21(17)28)25-14(2)20(13)22(29)24-7-10-27-8-3-4-9-27;1-5(2,3)4/h5-6,11-12,25H,3-4,7-10H2,1-2H3,(H,24,29)(H,26,28);(H3,1,2,3,4)

Composition: C (53.44%), H (5.71%), F (3.84%), N (11.33%), O (19.41%), P (6.26%)

Molar Mass: 494.46

Atom Count: 62

Heavy Atom Count: 34

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	494.173049799
Formal Charge	0
FSP3	0.36
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
InChIKey	AOORBROPMMRREB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	114.31
Topological Polar Surface Area	77.23
Polarizability	41.25
Ring Count	4
Rotatable Bond Count	5

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98.02%	<7 Days	874819-74-6		$29.92-$140.25$29.92$46.75$79.48$93.50$140.25