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3-Iodo-5-methyl-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine

3-Iodo-5-methyl-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine - CAS 1228666-07-6

Catalog:	BB005558
Product Name:	3-Iodo-5-methyl-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine
CAS:	1228666-07-6
Synonyms:	1-(benzenesulfonyl)-3-iodo-5-methylpyrrolo[2,3-b]pyridine

Technical Data

Patents

Computed Properties

IUPAC Name:	1-(benzenesulfonyl)-3-iodo-5-methylpyrrolo[2,3-b]pyridine
Description:	3-Iodo-5-methyl-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine (CAS# 1228666-07-6) is a useful research chemical.
Molecular Weight:	398.22
Molecular Formula:	C14H11IN2O2S
Canonical SMILES:	CC1=CN=C2C(=C1)C(=CN2S(=O)(=O)C3=CC=CC=C3)I
InChI:	InChI=1S/C14H11IN2O2S/c1-10-7-12-13(15)9-17(14(12)16-8-10)20(18,19)11-5-3-2-4-6-11/h2-9H,1H3
InChI Key:	FFIDQLBOGUNEHY-UHFFFAOYSA-N
MDL:	MFCD16628243
LogP:	4.26710

Publication Number	Title	Priority Date
AU-2011242778-A1	Compounds and methods for kinase modulation, and indications therefor	20100421
AU-2011242778-B2	Compounds and methods for kinase modulation, and indications therefor	20100421
CA-2796998-A1	Compounds and methods for kinase modulation, and indications therefor	20100421
EA-028105-B1	CONNECTIONS AND METHODS FOR MODELING KINAZES AND INDICATIONS FOR THEIR APPLICATION	20100421
EP-2560972-A2	Compounds and methods for kinase modulation, and indications therefor	20100421

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Complexity:	445
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	397.9586
Formal Charge:	0
Heavy Atom Count:	20
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	397.9586
Rotatable Bond Count:	2
Topological Polar Surface Area:	60.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.5