GDC-0575

CAT: 0926-WXB54147-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-WXB54147-02Size:50 mg

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

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CAS Number

1196541-47-5

MDL Number

MFCD29048675

Smiles

C1C[C@H] (CN (C1) C2=C3C (=CNC3=NC=C2Br) NC (=O) C4CC4) N

Molecular Formula

C16H20BrN5O

Molecular Weight

378.27 g/mol

Controlled

Chemical Information

(R)-N-(4-(3-aminopiperidin-1-yl)-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)cyclopropanecarboxamide

CAS Number	1196541-47-5
PubChem CID	46917793
IUPAC Name	N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide
Molecular Formula	C16H20BrN5O
Molecular Weight	378.27
XLogP	1.4
Topological Polar Surface Area	87
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	23
Formal Charge	0
Complexity	460

SMILES

C1C[C@H](CN(C1)C2=C3C(=CNC3=NC=C2Br)NC(=O)C4CC4)N

InChI

InChI=1S/C16H20BrN5O/c17-11-6-19-15-13(14(11)22-5-1-2-10(18)8-22)12(7-20-15)21-16(23)9-3-4-9/h6-7,9-10H,1-5,8,18H2,(H,19,20)(H,21,23)/t10-/m1/s1

InChIKey

BAZRWWGASYWYGB-SNVBAGLBSA-N

Chemical Structure

2D Structure

CAS: 1196541-47-5

CID: 46917793

Formula: C16H20BrN5O

MW: 378.27

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	378.27
XLogP3	1.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	377.08512
Monoisotopic Mass	377.08512
Topological Polar Surface Area	87 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	460
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