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CP 135807

CAT: 0013-GTR19201365-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19201365-02Size:50 mg
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Description
CP 135807
CAS Number
151272-90-1
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Smiles
C (C=1C=2C (NC1) =CC=C (NC3=C (N (=O) =O) C=CC=N3) C2) [C@@H]4N (C) CCC4
Molecular Formula
C19H21N5O2
Molecular Weight
351.4
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-(((2R)-1-Methyl-2-pyrrolidinyl)methyl)-N-(3-nitro-2-pyridinyl)-1H-indol-5-amine

a 5-HT(1D) agonist; RN given for (R)-isomer

CAS Number151272-90-1
PubChem CID5487088
IUPAC Name3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-N-(3-nitro-2-pyridinyl)-1H-indol-5-amine
Molecular FormulaC19H21N5O2
Molecular Weight351.4
XLogP4.1
Topological Polar Surface Area89.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count26
Formal Charge0
Complexity499
SMILES
CN1CCC[C@@H]1CC2=CNC3=C2C=C(C=C3)NC4=C(C=CC=N4)[N+](=O)[O-]
InChI
InChI=1S/C19H21N5O2/c1-23-9-3-4-15(23)10-13-12-21-17-7-6-14(11-16(13)17)22-19-18(24(25)26)5-2-8-20-19/h2,5-8,11-12,15,21H,3-4,9-10H2,1H3,(H,20,22)/t15-/m1/s1
InChIKey
YPFIYPNOWVPAPR-OAHLLOKOSA-N
Chemical Structure
2D Structure
2D structure of 3-(((2R)-1-Methyl-2-pyrrolidinyl)methyl)-N-(3-nitro-2-pyridinyl)-1H-indol-5-amine
CAS: 151272-90-1
CID: 5487088
Formula: C19H21N5O2
MW: 351.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight351.4
XLogP34.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass351.16952493
Monoisotopic Mass351.16952493
Topological Polar Surface Area89.8 Ų
Heavy Atom Count26
Formal Charge0
Complexity499
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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413313CP 135807
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