Y-33075

CAT: 0926-ZHA43358-03Size: 100 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0926-ZHA43358-03Size:100 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

199433-58-4

MDL Number

MFCD16038858

Smiles

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

Molecular Formula

C16H16N4O

Molecular Weight

280.32 g/mol

Controlled

Chemical Information

Y-33075

4-[(1R)-1-aminoethyl]-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide is a pyrrolopyridine.

CAS Number	199433-58-4
PubChem CID	9810884
IUPAC Name	4-[(1R)-1-aminoethyl]-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide
Molecular Formula	C16H16N4O
Molecular Weight	280.32
XLogP	1.4
Topological Polar Surface Area	83.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	21
Formal Charge	0
Complexity	367

SMILES

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

InChI

InChI=1S/C16H16N4O/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)/t10-/m1/s1

InChIKey

JTVBXQAYBIJXRP-SNVBAGLBSA-N

Chemical Structure

2D Structure

CAS: 199433-58-4

CID: 9810884

Formula: C16H16N4O

MW: 280.32

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	280.32
XLogP3	1.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	280.13241115
Monoisotopic Mass	280.13241115
Topological Polar Surface Area	83.8 Å²
Heavy Atom Count	21
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	1
Compound Is Canonicalized	Yes