3-Chloro-2-(2-methoxyphenyl)-6-[N-(2-methylaminoethyl)pyperidin-4-yl]indole - CAS 912970-80-0

Catalog:	BB062375
Product Name:	3-Chloro-2-(2-methoxyphenyl)-6-[N-(2-methylaminoethyl)pyperidin-4-yl]indole
CAS:	912970-80-0
Synonyms:	4-[3-Chloro-2-(2-methoxyphenyl)-1H-indol-5-yl]-N-methyl-1-piperidineethanamine

Technical Data

IUPAC Name:	2-[4-[3-chloro-2-(2-methoxyphenyl)-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine
Description:	3-Chloro-2-(2-methoxyphenyl)-6-[N-(2-methylaminoethyl)pyperidin-4-yl]indole is used in the preparation of heterocyclic inhibitors of protein argenine methyltransferases; compounds which are used for treating hyperproliferative, inflammatory, infectious, and immunoregulatory disorders and diseases.
Molecular Weight:	397.94
Molecular Formula:	C23H28ClN3O
Canonical SMILES:	CNCCN1CCC(CC1)C2=CC3=C(C=C2)NC(=C3Cl)C4=CC=CC=C4OC
InChI:	InChI=1S/C23H28ClN3O/c1-25-11-14-27-12-9-16(10-13-27)17-7-8-20-19(15-17)22(24)23(26-20)18-5-3-4-6-21(18)28-2/h3-8,15-16,25-26H,9-14H2,1-2H3
InChI Key:	SEJLXUYMIRXRMJ-UHFFFAOYSA-N
References:	Purandare, A. V., et al. Preparation of heterocyclic inhibitors of proteine arginine methyltransferases for treating hyperproliferative, inflammatory, infectious, and immunoregulatory diseases. U.S. Pat. Appl. 20060235037. Oct 19, 2006.

Complexity:	485
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	397.1920902
Formal Charge:	0
Heavy Atom Count:	28
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	397.1920902
Rotatable Bond Count:	6
Topological Polar Surface Area:	40.3Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.5