GW-441756

CAT: 0024-sc-200683ASize: 50 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-200683ASize:50 mg

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CAS Number

504433-23-2

Chemical Information

(3Z)-1,3-Dihydro-3-((1-methyl-1H-indol-3-yl)methylene)-2H-pyrrolo(3,2-b)pyridin-2-one

3-[(1-methyl-3-indolyl)methylidene]-1H-pyrrolo[3,2-b]pyridin-2-one is a member of indoles.

CAS Number	504433-23-2
PubChem CID	9943465
IUPAC Name	(3Z)-3-[(1-methylindol-3-yl)methylidene]-1H-pyrrolo[3,2-b]pyridin-2-one
Molecular Formula	C17H13N3O
Molecular Weight	275.30
XLogP	1.9
Topological Polar Surface Area	46.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	21
Formal Charge	0
Complexity	461

SMILES

CN1C=C(C2=CC=CC=C21)/C=C\3/C4=C(C=CC=N4)NC3=O

InChI

InChI=1S/C17H13N3O/c1-20-10-11(12-5-2-3-7-15(12)20)9-13-16-14(19-17(13)21)6-4-8-18-16/h2-10H,1H3,(H,19,21)/b13-9-

InChIKey

NXNQLECPAXXYTR-LCYFTJDESA-N

Chemical Structure

2D Structure

CAS: 504433-23-2

CID: 9943465

Formula: C17H13N3O

MW: 275.30

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	275.30
XLogP3	1.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	275.105862047
Monoisotopic Mass	275.105862047
Topological Polar Surface Area	46.9 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	461
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes