Y-33075 dihydrochloride

CAT: 0926-YGA89744-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0926-YGA89744-01Size:25 mg

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CAS Number

173897-44-4

MDL Number

MFCD16038860

Smiles

C[C@H] (C1=CC=C (C=C1) C (=O) NC2=C3C=CNC3=NC=C2) N.Cl.Cl

Molecular Formula

C16H18Cl2N4O

Molecular Weight

353.25 g/mol

Controlled

Chemical Information

(R)-4-(1-Aminoethyl)-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide dihydrochloride

CAS Number	173897-44-4
PubChem CID	20601328
IUPAC Name	4-[(1R)-1-aminoethyl]-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide;dihydrochloride
Molecular Formula	C16H18Cl2N4O
Molecular Weight	353.2
Topological Polar Surface Area	83.8
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	23
Formal Charge	0
Complexity	367

SMILES

C[C@H](C1=CC=C(C=C1)C(=O)NC2=C3C=CNC3=NC=C2)N.Cl.Cl

InChI

InChI=1S/C16H16N4O.2ClH/c1-10(17)11-2-4-12(5-3-11)16(21)20-14-7-9-19-15-13(14)6-8-18-15;;/h2-10H,17H2,1H3,(H2,18,19,20,21);2*1H/t10-;;/m1../s1

InChIKey

CKFHAVRPVZNMGT-YQFADDPSSA-N

Chemical Structure

2D Structure

CAS: 173897-44-4

CID: 20601328

Formula: C16H18Cl2N4O

MW: 353.2

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	353.2
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	352.0857666
Monoisotopic Mass	352.0857666
Topological Polar Surface Area	83.8 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	367
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	3
Compound Is Canonicalized	Yes