AZ506

CAT: 0926-TGD32154-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-TGD32154-02Size:50 mg

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CAS Number

2043321-54-4

Smiles

COC1=CC=CC (=C1) C (=O) CCN2CCC (C2) C3=CC=CC=C3

Molecular Formula

C33H40N6O

Molecular Weight

536.7 g/mol

Controlled

Chemical Information

5-[2-[4-[2-(1~{h}-Indol-3-Yl)ethyl]piperazin-1-Yl]phenyl]-~{n}-(3-Pyrrolidin-1-Ylpropyl)pyridine-3-Carboxamide

CAS Number	2043321-54-4
PubChem CID	122705799
IUPAC Name	5-[2-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]phenyl]-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide
Molecular Formula	C33H40N6O
Molecular Weight	536.7
XLogP	4.7
Topological Polar Surface Area	67.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	10
Heavy Atom Count	40
Formal Charge	0
Complexity	781

SMILES

C1CCN(C1)CCCNC(=O)C2=CN=CC(=C2)C3=CC=CC=C3N4CCN(CC4)CCC5=CNC6=CC=CC=C65

InChI

InChI=1S/C33H40N6O/c40-33(35-13-7-16-37-14-5-6-15-37)28-22-27(23-34-24-28)30-9-2-4-11-32(30)39-20-18-38(19-21-39)17-12-26-25-36-31-10-3-1-8-29(26)31/h1-4,8-11,22-25,36H,5-7,12-21H2,(H,35,40)

InChIKey

VCPDGNYFXJYJFB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2043321-54-4

CID: 122705799

Formula: C33H40N6O

MW: 536.7

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	536.7
XLogP3	4.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	10
Exact Mass	536.32635992
Monoisotopic Mass	536.32635992
Topological Polar Surface Area	67.5 Å²
Heavy Atom Count	40
Formal Charge	0
Complexity	781
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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